CID 104701013

Tert-butyl n-[1-(2-bromoacetyl)cyclopentyl]carbamate

Structural Information

Molecular Formula
C12H20BrNO3
SMILES
CC(C)(C)OC(=O)NC1(CCCC1)C(=O)CBr
InChI
InChI=1S/C12H20BrNO3/c1-11(2,3)17-10(16)14-12(9(15)8-13)6-4-5-7-12/h4-8H2,1-3H3,(H,14,16)
InChIKey
DRVONOMDUMSSSF-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(2-bromoacetyl)cyclopentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.06265 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.06993 166.8
[M+Na]+ 328.05187 174.7
[M-H]- 304.05537 172.1
[M+NH4]+ 323.09647 188.4
[M+K]+ 344.02581 164.9
[M+H-H2O]+ 288.05991 167.5
[M+HCOO]- 350.06085 184.2
[M+CH3COO]- 364.07650 199.2
[M+Na-2H]- 326.03732 170.3
[M]+ 305.06210 184.5
[M]- 305.06320 184.5
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.