CID 12332833

Methyl 3-acetyl-4-hydroxybenzoate

Structural Information

Molecular Formula
C10H10O4
SMILES
CC(=O)C1=C(C=CC(=C1)C(=O)OC)O
InChI
InChI=1S/C10H10O4/c1-6(11)8-5-7(10(13)14-2)3-4-9(8)12/h3-5,12H,1-2H3
InChIKey
FPYAQSSSRQZXMS-UHFFFAOYSA-N
Compound name
methyl 3-acetyl-4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

125
Patents

194.0579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 139.6
[M+Na]+ 217.04712 151.1
[M+NH4]+ 212.09172 146.2
[M+K]+ 233.02106 147.1
[M-H]- 193.05062 139.6
[M+Na-2H]- 215.03257 144.3
[M]+ 194.05735 141.0
[M]- 194.05845 141.0
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