CID 13816144

4-(2-methoxy-2-oxoethyl)benzoic acid

Structural Information

Molecular Formula
C10H10O4
SMILES
COC(=O)CC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C10H10O4/c1-14-9(11)6-7-2-4-8(5-3-7)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey
LUFHLJPQDOKZKU-UHFFFAOYSA-N
Compound name
4-(2-methoxy-2-oxoethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

194.0579 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 140.1
[M+Na]+ 217.04712 151.2
[M+NH4]+ 212.09172 146.7
[M+K]+ 233.02106 147.0
[M-H]- 193.05062 140.0
[M+Na-2H]- 215.03257 145.0
[M]+ 194.05735 141.3
[M]- 194.05845 141.3
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