CID 68007523

1259277-49-0

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CN
InChI
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-10-7-5-4-6-9(10)8-13/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t9-,10+/m0/s1
InChIKey
NYPPQRSVUJQKTO-VHSXEESVSA-N
Compound name
tert-butyl N-[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

228.18378 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 155.4
[M+Na]+ 251.17300 162.0
[M+NH4]+ 246.21760 162.0
[M+K]+ 267.14694 158.0
[M-H]- 227.17650 156.3
[M+Na-2H]- 249.15845 157.9
[M]+ 228.18323 156.1
[M]- 228.18433 156.1
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