CID 538658

2-bromo-2-propen-1-ol acetate

Structural Information

Molecular Formula
C5H7BrO2
SMILES
CC(=O)OCC(=C)Br
InChI
InChI=1S/C5H7BrO2/c1-4(6)3-8-5(2)7/h1,3H2,2H3
InChIKey
FZJSVKNXSXPGBI-UHFFFAOYSA-N
Compound name
2-bromoprop-2-enyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

177.96294 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97022 128.2
[M+Na]+ 200.95216 139.5
[M-H]- 176.95566 131.6
[M+NH4]+ 195.99676 151.8
[M+K]+ 216.92610 130.2
[M+H-H2O]+ 160.96020 129.2
[M+HCOO]- 222.96114 148.8
[M+CH3COO]- 236.97679 178.2
[M+Na-2H]- 198.93761 134.6
[M]+ 177.96239 147.5
[M]- 177.96349 147.5
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