CID 138040481

2243508-24-7

Structural Information

Molecular Formula
C13H24BrNO2
SMILES
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](C1)CBr
InChI
InChI=1S/C13H24BrNO2/c1-13(2,3)17-12(16)15-9-11-6-4-5-10(7-11)8-14/h10-11H,4-9H2,1-3H3,(H,15,16)/t10-,11+/m0/s1
InChIKey
RDXOGYMWINSTMZ-WDEREUQCSA-N
Compound name
tert-butyl N-[[(1R,3S)-3-(bromomethyl)cyclohexyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.09903 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10631 168.8
[M+Na]+ 328.08825 175.3
[M-H]- 304.09175 173.5
[M+NH4]+ 323.13285 187.2
[M+K]+ 344.06219 164.7
[M+H-H2O]+ 288.09629 168.0
[M+HCOO]- 350.09723 184.3
[M+CH3COO]- 364.11288 202.1
[M+Na-2H]- 326.07370 171.8
[M]+ 305.09848 184.8
[M]- 305.09958 184.8
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

No patent data available for this compound.