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

31
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 117.8
[M+Na]+ 141.01583 123.7
[M-H]- 117.01933 119.8
[M+NH4]+ 136.06043 132.7
[M+K]+ 156.98977 127.9
[M+H-H2O]+ 101.02387 109.6
[M+HCOO]- 163.02481 136.6
[M+CH3COO]- 177.04046 165.3
[M+Na-2H]- 139.00128 125.6
[M]+ 118.02606 125.6
[M]- 118.02716 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