CID 23198947

2-hydroxy-2-(oxolan-2-yl)acetic acid

Structural Information

Molecular Formula
C6H10O4
SMILES
C1CC(OC1)C(C(=O)O)O
InChI
InChI=1S/C6H10O4/c7-5(6(8)9)4-2-1-3-10-4/h4-5,7H,1-3H2,(H,8,9)
InChIKey
YCVQIFAYEDNDPQ-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(oxolan-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

146.0579 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 129.5
[M+Na]+ 169.047118 134.7
[M-H]- 145.050624 130.5
[M+NH4]+ 164.091723 149.3
[M+K]+ 185.021058 135.5
[M+H-H2O]+ 129.055160 124.9
[M+HCOO]- 191.056101 147.9
[M+CH3COO]- 205.071751 166.9
[M+Na-2H]- 167.032566 132.6
[M]+ 146.05735142 126.6
[M]- 146.05844858 126.6
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