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

48
Patents

146.0579 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 128.5
[M+Na]+ 169.047118 134.5
[M-H]- 145.050624 131.5
[M+NH4]+ 164.091723 147.8
[M+K]+ 185.021058 136.6
[M+H-H2O]+ 129.055160 123.8
[M+HCOO]- 191.056101 148.4
[M+CH3COO]- 205.071751 168.7
[M+Na-2H]- 167.032566 134.3
[M]+ 146.05735142 128.8
[M]- 146.05844858 128.8
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

patents stripe