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 161.1
[M+Na]+ 334.00494 171.5
[M-H]- 310.00844 170.5
[M+NH4]+ 329.04954 176.2
[M+K]+ 349.97888 160.8
[M+H-H2O]+ 294.01298 160.5
[M+HCOO]- 356.01392 182.1
[M+CH3COO]- 370.02957 202.7
[M+Na-2H]- 331.99039 167.5
[M]+ 311.01517 182.4
[M]- 311.01627 182.4
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.