PubChemLite - 85099-51-0 (C37H68N2O4)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCOC(=O)CCN1C(=O)C2(CC(NC(C2)(C)C)(C)C)OC13CCCCCCCCCCC3

InChI

InChI=1S/C37H68N2O4/c1-6-7-8-9-10-11-15-18-21-24-29-42-32(40)25-28-39-33(41)36(30-34(2,3)38-35(4,5)31-36)43-37(39)26-22-19-16-13-12-14-17-20-23-27-37/h38H,6-31H2,1-5H3

InChIKey

FDCDWHGYQOJMTQ-UHFFFAOYSA-N

Compound name

dodecyl 3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-20-yl)propanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	605.52518	251.5
[M+Na]+	627.50712	248.1
[M-H]-	603.51062	249.0
[M+NH4]+	622.55172	256.4
[M+K]+	643.48106	244.9
[M+H-H2O]+	587.51516	245.6
[M+HCOO]-	649.51610	251.0
[M+CH3COO]-	663.53175	252.2
[M+Na-2H]-	625.49257	242.3
[M]+	604.51735	244.7
[M]-	604.51845	244.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

605.52518

251.5

[M+Na]+

627.50712

248.1

[M-H]-

603.51062

249.0

[M+NH4]+

622.55172

256.4

[M+K]+

643.48106

244.9

[M+H-H2O]+

587.51516

245.6

[M+HCOO]-

649.51610

251.0

[M+CH3COO]-

663.53175

252.2

[M+Na-2H]-

625.49257

242.3

[M]+

604.51735

244.7

[M]-

604.51845

244.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

85099-51-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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