CID 16757560

2-bromo-n-cyclopropylacetamide

Structural Information

Molecular Formula
C5H8BrNO
SMILES
C1CC1NC(=O)CBr
InChI
InChI=1S/C5H8BrNO/c6-3-5(8)7-4-1-2-4/h4H,1-3H2,(H,7,8)
InChIKey
AFGORAFRNCMUJC-UHFFFAOYSA-N
Compound name
2-bromo-N-cyclopropylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

151
Patents

176.97893 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.98621 130.1
[M+Na]+ 199.96815 142.3
[M-H]- 175.97165 137.3
[M+NH4]+ 195.01275 148.8
[M+K]+ 215.94209 131.4
[M+H-H2O]+ 159.97619 129.4
[M+HCOO]- 221.97713 152.5
[M+CH3COO]- 235.99278 182.7
[M+Na-2H]- 197.95360 138.1
[M]+ 176.97838 148.9
[M]- 176.97948 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe