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 165.7
[M+Na]+ 314.07262 173.7
[M-H]- 290.07612 171.0
[M+NH4]+ 309.11722 188.1
[M+K]+ 330.04656 163.5
[M+H-H2O]+ 274.08066 166.3
[M+HCOO]- 336.08160 183.7
[M+CH3COO]- 350.09725 197.4
[M+Na-2H]- 312.05807 170.1
[M]+ 291.08285 183.4
[M]- 291.08395 183.4
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.