CID 13030227

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

Structural Information

Molecular Formula
C6H10O4
SMILES
C1COC(O1)CCC(=O)O
InChI
InChI=1S/C6H10O4/c7-5(8)1-2-6-9-3-4-10-6/h6H,1-4H2,(H,7,8)
InChIKey
OMRKVBGGCFPFQR-UHFFFAOYSA-N
Compound name
3-(1,3-dioxolan-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

146.0579 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 128.8
[M+Na]+ 169.04712 137.4
[M+NH4]+ 164.09172 135.7
[M+K]+ 185.02106 136.5
[M-H]- 145.05062 130.5
[M+Na-2H]- 167.03257 130.7
[M]+ 146.05735 130.1
[M]- 146.05845 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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