CID 6372571

Methyl 2-bromo-2-butenoate

Structural Information

Molecular Formula
C5H7BrO2
SMILES
C/C=C(/C(=O)OC)\Br
InChI
InChI=1S/C5H7BrO2/c1-3-4(6)5(7)8-2/h3H,1-2H3/b4-3-
InChIKey
DMKWWKUPZZAUQL-ARJAWSKDSA-N
Compound name
methyl (Z)-2-bromobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

177.96294 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97022 127.8
[M+Na]+ 200.95216 129.0
[M+NH4]+ 195.99676 131.8
[M+K]+ 216.92610 130.6
[M-H]- 176.95566 125.4
[M+Na-2H]- 198.93761 128.6
[M]+ 177.96239 125.8
[M]- 177.96349 125.8
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

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