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

94
Patents

132.04225 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.049526 123.7
[M+Na]+ 155.031468 130.1
[M-H]- 131.034974 126.9
[M+NH4]+ 150.076073 143.6
[M+K]+ 171.005408 132.5
[M+H-H2O]+ 115.039510 119.3
[M+HCOO]- 177.040451 144.0
[M+CH3COO]- 191.056101 165.7
[M+Na-2H]- 153.016916 130.1
[M]+ 132.04170142 123.7
[M]- 132.04279858 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