CID 21979749

Tert-butyl n-(3-aminocyclohexyl)carbamate

Structural Information

Molecular Formula
C11H22N2O2
SMILES
CC(C)(C)OC(=O)NC1CCCC(C1)N
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKey
OBSACSBMTRJNPH-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-aminocyclohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

523
Patents

214.16812 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.17540 151.5
[M+Na]+ 237.15734 154.8
[M-H]- 213.16084 153.7
[M+NH4]+ 232.20194 169.4
[M+K]+ 253.13128 154.1
[M+H-H2O]+ 197.16538 145.7
[M+HCOO]- 259.16632 170.6
[M+CH3COO]- 273.18197 191.3
[M+Na-2H]- 235.14279 154.1
[M]+ 214.16757 146.5
[M]- 214.16867 146.5
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