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

24
Patents

118.02661 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.03389 121.6
[M+Na]+ 141.01583 126.4
[M+NH4]+ 136.06043 125.8
[M+K]+ 156.98977 124.3
[M-H]- 117.01933 118.9
[M+Na-2H]- 139.00128 123.5
[M]+ 118.02606 120.1
[M]- 118.02716 120.1
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