CID 104701380

Benzyl n-[1-(2-bromoacetyl)cyclopropyl]carbamate

Structural Information

Molecular Formula
C13H14BrNO3
SMILES
C1CC1(C(=O)CBr)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H14BrNO3/c14-8-11(16)13(6-7-13)15-12(17)18-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,17)
InChIKey
XPXXUQWEZBZLMN-UHFFFAOYSA-N
Compound name
benzyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.01572 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.02300 154.6
[M+Na]+ 334.00494 157.6
[M+NH4]+ 329.04954 160.1
[M+K]+ 349.97888 157.9
[M-H]- 310.00844 161.6
[M+Na-2H]- 331.99039 161.6
[M]+ 311.01517 156.8
[M]- 311.01627 156.8
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.