CID 641236

2-propen-1-ol, 3-bromo-, (2e)-

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

184
Patents

135.95238 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.95966 118.2
[M+Na]+ 158.94160 130.1
[M-H]- 134.94510 120.5
[M+NH4]+ 153.98620 142.9
[M+K]+ 174.91554 119.8
[M+H-H2O]+ 118.94964 119.9
[M+HCOO]- 180.95058 139.4
[M+CH3COO]- 194.96623 167.5
[M+Na-2H]- 156.92705 127.5
[M]+ 135.95183 135.6
[M]- 135.95293 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