CID 13829075

70321-36-7

Structural Information

Molecular Formula
C3H4BrNO
SMILES
C=C(C(=O)N)Br
InChI
InChI=1S/C3H4BrNO/c1-2(4)3(5)6/h1H2,(H2,5,6)
InChIKey
CWJLXOUWYUQFHL-UHFFFAOYSA-N
Compound name
2-bromoprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

584
Patents

148.94763 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.95491 121.6
[M+Na]+ 171.93685 132.5
[M-H]- 147.94035 124.5
[M+NH4]+ 166.98145 145.3
[M+K]+ 187.91079 122.5
[M+H-H2O]+ 131.94489 122.0
[M+HCOO]- 193.94583 142.6
[M+CH3COO]- 207.96148 175.1
[M+Na-2H]- 169.92230 127.8
[M]+ 148.94708 136.9
[M]- 148.94818 136.9
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