CID 63333232

2-(3-hydroxyoxolan-3-yl)acetic acid

Structural Information

Molecular Formula
C6H10O4
SMILES
C1COCC1(CC(=O)O)O
InChI
InChI=1S/C6H10O4/c7-5(8)3-6(9)1-2-10-4-6/h9H,1-4H2,(H,7,8)
InChIKey
LANGEBBOKGBYHS-UHFFFAOYSA-N
Compound name
2-(3-hydroxyoxolan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

146.0579 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 129.1
[M+Na]+ 169.04712 137.0
[M+NH4]+ 164.09172 137.3
[M+K]+ 185.02106 134.3
[M-H]- 145.05062 129.0
[M+Na-2H]- 167.03257 132.5
[M]+ 146.05735 129.9
[M]- 146.05845 129.9
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