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

28
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 126.0
[M+Na]+ 155.03147 130.6
[M+NH4]+ 150.07607 130.1
[M+K]+ 171.00541 128.2
[M-H]- 131.03497 123.2
[M+Na-2H]- 153.01692 127.6
[M]+ 132.04170 124.5
[M]- 132.04280 124.5
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