CID 13104

795-65-3

Structural Information

Molecular Formula

C₂₁H₄₁N

SMILES

CCCCCCCCCCCCN1CCC2(C1)CCCCC2

InChI

InChI=1S/C21H41N/c1-2-3-4-5-6-7-8-9-10-14-18-22-19-17-21(20-22)15-12-11-13-16-21/h2-20H2,1H3

InChIKey

TUYJSZOUGZRFPN-UHFFFAOYSA-N

Compound name

2-dodecyl-2-azaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 307.3239 Da
Monoisotopic Mass: 8.2
XlogP (predicted)

Profile

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]+	308.331176	185.9
[M+Na]+	330.313118	185.7
[M-H]-	306.316624	186.7
[M+NH4]+	325.357723	202.9
[M+K]+	346.287058	181.2
[M+H-H2O]+	290.321160	177.1
[M+HCOO]-	352.322101	199.9
[M+CH3COO]-	366.337751	207.3
[M+Na-2H]-	328.298566	183.8
[M]+	307.32335142	182.3
[M]-	307.32444858	182.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.