CID 75144392

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

Structural Information

Molecular Formula
C12H22BrNO2
SMILES
CC(C)(C)OC(=O)NC1CCCC(C1)CBr
InChI
InChI=1S/C12H22BrNO2/c1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKey
XJDUGNDNCQMMBK-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(bromomethyl)cyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

291.0834 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09068 161.0
[M+Na]+ 314.07262 160.2
[M+NH4]+ 309.11722 164.6
[M+K]+ 330.04656 161.3
[M-H]- 290.07612 160.4
[M+Na-2H]- 312.05807 161.1
[M]+ 291.08285 159.2
[M]- 291.08395 159.2
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