CID 18949257

4-(1,3-dioxolan-2-yl)benzoic acid

Structural Information

Molecular Formula
C10H10O4
SMILES
C1COC(O1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C10H10O4/c11-9(12)7-1-3-8(4-2-7)10-13-5-6-14-10/h1-4,10H,5-6H2,(H,11,12)
InChIKey
NTQFLFYOFQFWPM-UHFFFAOYSA-N
Compound name
4-(1,3-dioxolan-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

194.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 139.1
[M+Na]+ 217.04712 150.4
[M+NH4]+ 212.09172 146.8
[M+K]+ 233.02106 148.3
[M-H]- 193.05062 143.8
[M+Na-2H]- 215.03257 144.1
[M]+ 194.05735 141.9
[M]- 194.05845 141.9
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