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

2
Patents

291.0834 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.090676 164.2
[M+Na]+ 314.072618 171.1
[M-H]- 290.076124 169.2
[M+NH4]+ 309.117223 183.2
[M+K]+ 330.046558 160.8
[M+H-H2O]+ 274.080660 163.7
[M+HCOO]- 336.081601 180.1
[M+CH3COO]- 350.097251 199.2
[M+Na-2H]- 312.058066 167.7
[M]+ 291.08285142 179.9
[M]- 291.08394858 179.9
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