CID 22121967

194032-42-3

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC1CCN(CCN1)C(=O)OC(C)(C)C

InChI

InChI=1S/C11H22N2O2/c1-9-5-7-13(8-6-12-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3

InChIKey

SVMXIQUBNSPVCB-UHFFFAOYSA-N

Compound name

tert-butyl 5-methyl-1,4-diazepane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 214.16812 Da
Monoisotopic Mass: 1.2
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]+	215.17540	149.2
[M+Na]+	237.15734	155.9
[M+NH4]+	232.20194	154.4
[M+K]+	253.13128	153.9
[M-H]-	213.16084	147.5
[M+Na-2H]-	235.14279	151.6
[M]+	214.16757	149.4
[M]-	214.16867	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe