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

8
Patents

146.0579 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 128.2
[M+Na]+ 169.047118 134.6
[M-H]- 145.050624 129.5
[M+NH4]+ 164.091723 150.2
[M+K]+ 185.021058 135.1
[M+H-H2O]+ 129.055160 124.6
[M+HCOO]- 191.056101 147.6
[M+CH3COO]- 205.071751 165.5
[M+Na-2H]- 167.032566 133.9
[M]+ 146.05735142 126.4
[M]- 146.05844858 126.4
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