CID 165983204

2763741-53-1

Structural Information

Molecular Formula
C11H18BrNO3
SMILES
CC(C)(C)OC(=O)NC1CC(C1)C(=O)CBr
InChI
InChI=1S/C11H18BrNO3/c1-11(2,3)16-10(15)13-8-4-7(5-8)9(14)6-12/h7-8H,4-6H2,1-3H3,(H,13,15)
InChIKey
CRTSINHLIRPSQB-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(2-bromoacetyl)cyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.047 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05428 156.5
[M+Na]+ 314.03622 163.1
[M-H]- 290.03972 161.8
[M+NH4]+ 309.08082 169.2
[M+K]+ 330.01016 156.6
[M+H-H2O]+ 274.04426 150.6
[M+HCOO]- 336.04520 172.9
[M+CH3COO]- 350.06085 202.5
[M+Na-2H]- 312.02167 159.5
[M]+ 291.04645 182.6
[M]- 291.04755 182.6
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.