CID 91636097

Tert-butyl n-{[1-(bromomethyl)cyclopentyl]methyl}carbamate

Structural Information

Molecular Formula
C12H22BrNO2
SMILES
CC(C)(C)OC(=O)NCC1(CCCC1)CBr
InChI
InChI=1S/C12H22BrNO2/c1-11(2,3)16-10(15)14-9-12(8-13)6-4-5-7-12/h4-9H2,1-3H3,(H,14,15)
InChIKey
XCLFEXPXRMCNSY-UHFFFAOYSA-N
Compound name
tert-butyl N-[[1-(bromomethyl)cyclopentyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.0834 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09068 167.2
[M+Na]+ 314.07262 165.0
[M+NH4]+ 309.11722 171.6
[M+K]+ 330.04656 166.0
[M-H]- 290.07612 165.7
[M+Na-2H]- 312.05807 167.6
[M]+ 291.08285 165.1
[M]- 291.08395 165.1
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.