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

41
Patents

146.0579 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 129.5
[M+Na]+ 169.04712 134.7
[M-H]- 145.05062 130.5
[M+NH4]+ 164.09172 149.3
[M+K]+ 185.02106 135.5
[M+H-H2O]+ 129.05516 124.9
[M+HCOO]- 191.05610 147.9
[M+CH3COO]- 205.07175 166.9
[M+Na-2H]- 167.03257 132.6
[M]+ 146.05735 126.6
[M]- 146.05845 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