CID 22713997

Tert-butyl n-[3-(aminomethyl)cyclohexyl]carbamate

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC(C)(C)OC(=O)NC1CCCC(C1)CN
InChI
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKey
OJNXXJZVUYXMLE-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(aminomethyl)cyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

228.18378 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 156.0
[M+Na]+ 251.17300 158.9
[M-H]- 227.17650 158.1
[M+NH4]+ 246.21760 173.4
[M+K]+ 267.14694 158.0
[M+H-H2O]+ 211.18104 150.0
[M+HCOO]- 273.18198 174.8
[M+CH3COO]- 287.19763 194.3
[M+Na-2H]- 249.15845 158.1
[M]+ 228.18323 151.4
[M]- 228.18433 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe