CID 21728280

2-(1,3-dioxolan-2-yl)acetic acid

Structural Information

Molecular Formula
C5H8O4
SMILES
C1COC(O1)CC(=O)O
InChI
InChI=1S/C5H8O4/c6-4(7)3-5-8-1-2-9-5/h5H,1-3H2,(H,6,7)
InChIKey
RIUTZMFSKYWRDF-UHFFFAOYSA-N
Compound name
2-(1,3-dioxolan-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

132.04225 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04953 123.7
[M+Na]+ 155.03147 130.1
[M-H]- 131.03497 126.9
[M+NH4]+ 150.07607 143.6
[M+K]+ 171.00541 132.5
[M+H-H2O]+ 115.03951 119.3
[M+HCOO]- 177.04045 144.0
[M+CH3COO]- 191.05610 165.7
[M+Na-2H]- 153.01692 130.1
[M]+ 132.04170 123.7
[M]- 132.04280 123.7
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