CID 71755914

3-(hydroxymethyl)oxetane-3-carboxylic acid

Structural Information

Molecular Formula
C5H8O4
SMILES
C1C(CO1)(CO)C(=O)O
InChI
InChI=1S/C5H8O4/c6-1-5(4(7)8)2-9-3-5/h6H,1-3H2,(H,7,8)
InChIKey
OBAXXYDVDRRLAY-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)oxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

132.04225 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04953 122.5
[M+Na]+ 155.03147 128.0
[M-H]- 131.03497 124.3
[M+NH4]+ 150.07607 136.9
[M+K]+ 171.00541 132.0
[M+H-H2O]+ 115.03951 114.1
[M+HCOO]- 177.04045 141.0
[M+CH3COO]- 191.05610 168.3
[M+Na-2H]- 153.01692 129.8
[M]+ 132.04170 130.7
[M]- 132.04280 130.7
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