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 122.5
[M+Na]+ 216.94708 131.8
[M-H]- 192.95058 128.2
[M+NH4]+ 211.99168 139.1
[M+K]+ 232.92102 126.7
[M+H-H2O]+ 176.95512 120.0
[M+HCOO]- 238.95606 140.3
[M+CH3COO]- 252.97171 179.4
[M+Na-2H]- 214.93253 131.8
[M]+ 193.95731 148.7
[M]- 193.95841 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