CID 155970556

2639411-61-1

Structural Information

Molecular Formula
C14H26BrNO2
SMILES
CC(C)(C)OC(=O)N(C)CC1CCC(CC1)CBr
InChI
InChI=1S/C14H26BrNO2/c1-14(2,3)18-13(17)16(4)10-12-7-5-11(9-15)6-8-12/h11-12H,5-10H2,1-4H3
InChIKey
LPDAGXAQDQFSRU-UHFFFAOYSA-N
Compound name
tert-butyl N-[[4-(bromomethyl)cyclohexyl]methyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1147 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12198 172.6
[M+Na]+ 342.10392 178.9
[M-H]- 318.10742 178.6
[M+NH4]+ 337.14852 191.1
[M+K]+ 358.07786 169.5
[M+H-H2O]+ 302.11196 171.6
[M+HCOO]- 364.11290 188.3
[M+CH3COO]- 378.12855 208.1
[M+Na-2H]- 340.08937 174.4
[M]+ 319.11415 190.1
[M]- 319.11525 190.1
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.