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

29
Patents

193.95786 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.965136 122.5
[M+Na]+ 216.947078 131.8
[M-H]- 192.950584 128.2
[M+NH4]+ 211.991683 139.1
[M+K]+ 232.921018 126.7
[M+H-H2O]+ 176.955120 120.0
[M+HCOO]- 238.956061 140.3
[M+CH3COO]- 252.971711 179.4
[M+Na-2H]- 214.932526 131.8
[M]+ 193.95731142 148.7
[M]- 193.95840858 148.7
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