CID 21994175

198895-53-3

Structural Information

Molecular Formula
C13H24BrNO2
SMILES
CC(C)(C)OC(=O)NCC1CCC(CC1)CBr
InChI
InChI=1S/C13H24BrNO2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKey
AJOZRYSXFRMCKE-UHFFFAOYSA-N
Compound name
tert-butyl N-[[4-(bromomethyl)cyclohexyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

305.09903 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10631 165.4
[M+Na]+ 328.08825 164.4
[M+NH4]+ 323.13285 168.8
[M+K]+ 344.06219 165.3
[M-H]- 304.09175 164.7
[M+Na-2H]- 326.07370 165.3
[M]+ 305.09848 163.6
[M]- 305.09958 163.6
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