CID 84647752

3-hydroxyoxetane-3-carboxylic acid

Structural Information

Molecular Formula
C4H6O4
SMILES
C1C(CO1)(C(=O)O)O
InChI
InChI=1S/C4H6O4/c5-3(6)4(7)1-8-2-4/h7H,1-2H2,(H,5,6)
InChIKey
KAWRLDNYLIJABO-UHFFFAOYSA-N
Compound name
3-hydroxyoxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

118.02661 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.033886 117.8
[M+Na]+ 141.015828 123.7
[M-H]- 117.019334 119.8
[M+NH4]+ 136.060433 132.7
[M+K]+ 156.989768 127.9
[M+H-H2O]+ 101.023870 109.6
[M+HCOO]- 163.024811 136.6
[M+CH3COO]- 177.040461 165.3
[M+Na-2H]- 139.001276 125.6
[M]+ 118.02606142 125.6
[M]- 118.02715858 125.6
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