CID 118257540

3-(bromomethyl)oxetane-3-carboxylic acid

Structural Information

Molecular Formula
C5H7BrO3
SMILES
C1C(CO1)(CBr)C(=O)O
InChI
InChI=1S/C5H7BrO3/c6-1-5(4(7)8)2-9-3-5/h1-3H2,(H,7,8)
InChIKey
BPGGWEZKGGFKTB-UHFFFAOYSA-N
Compound name
3-(bromomethyl)oxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

193.95786 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.96514 132.5
[M+Na]+ 216.94708 129.9
[M+NH4]+ 211.99168 134.3
[M+K]+ 232.92102 132.3
[M-H]- 192.95058 129.8
[M+Na-2H]- 214.93253 132.6
[M]+ 193.95731 129.2
[M]- 193.95841 129.2
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