CID 15061725

Bromomethyl propanoate

Structural Information

Molecular Formula
C4H7BrO2
SMILES
CCC(=O)OCBr
InChI
InChI=1S/C4H7BrO2/c1-2-4(6)7-3-5/h2-3H2,1H3
InChIKey
YXASHNSJWVCWQQ-UHFFFAOYSA-N
Compound name
bromomethyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

165.96294 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.97022 124.9
[M+Na]+ 188.95216 136.5
[M-H]- 164.95566 128.4
[M+NH4]+ 183.99676 149.1
[M+K]+ 204.92610 127.7
[M+H-H2O]+ 148.96020 126.0
[M+HCOO]- 210.96114 146.5
[M+CH3COO]- 224.97679 175.5
[M+Na-2H]- 186.93761 132.9
[M]+ 165.96239 145.2
[M]- 165.96349 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe