CID 641236

37428-55-0

Structural Information

Molecular Formula
C3H5BrO
SMILES
C(/C=C/Br)O
InChI
InChI=1S/C3H5BrO/c4-2-1-3-5/h1-2,5H,3H2/b2-1+
InChIKey
JVADCGLQZLOZJL-OWOJBTEDSA-N
Compound name
(E)-3-bromoprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

135.95238 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.959656 118.2
[M+Na]+ 158.941598 130.1
[M-H]- 134.945104 120.5
[M+NH4]+ 153.986203 142.9
[M+K]+ 174.915538 119.8
[M+H-H2O]+ 118.949640 119.9
[M+HCOO]- 180.950581 139.4
[M+CH3COO]- 194.966231 167.5
[M+Na-2H]- 156.927046 127.5
[M]+ 135.95183142 135.6
[M]- 135.95292858 135.6
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