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]+ 292.054276 156.5
[M+Na]+ 314.036218 163.1
[M-H]- 290.039724 161.8
[M+NH4]+ 309.080823 169.2
[M+K]+ 330.010158 156.6
[M+H-H2O]+ 274.044260 150.6
[M+HCOO]- 336.045201 172.9
[M+CH3COO]- 350.060851 202.5
[M+Na-2H]- 312.021666 159.5
[M]+ 291.04645142 182.6
[M]- 291.04754858 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.