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

33
Patents

194.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 138.5
[M+Na]+ 217.047118 145.2
[M-H]- 193.050624 145.2
[M+NH4]+ 212.091723 156.0
[M+K]+ 233.021058 145.9
[M+H-H2O]+ 177.055160 133.0
[M+HCOO]- 239.056101 158.9
[M+CH3COO]- 253.071751 177.6
[M+Na-2H]- 215.032566 143.8
[M]+ 194.05735142 138.4
[M]- 194.05844858 138.4
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