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

207
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 138.7
[M+Na]+ 217.04712 146.2
[M-H]- 193.05062 141.3
[M+NH4]+ 212.09172 157.4
[M+K]+ 233.02106 145.1
[M+H-H2O]+ 177.05516 133.1
[M+HCOO]- 239.05610 160.8
[M+CH3COO]- 253.07175 180.3
[M+Na-2H]- 215.03257 142.9
[M]+ 194.05735 140.6
[M]- 194.05845 140.6
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