CID 177459

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

Structural Information

Molecular Formula
C10H10O4
SMILES
COC(=O)CC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C10H10O4/c1-14-9(11)6-7-4-2-3-5-8(7)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey
UKPMFGARCZOXDI-UHFFFAOYSA-N
Compound name
2-(2-methoxy-2-oxoethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

194.0579 Da
Monoisotopic Mass

1.2
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

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Patent stripe

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