CID 3022207

2-acetyl-4-hydroxy-3-methoxybenzoic acid

Structural Information

Molecular Formula
C10H10O5
SMILES
CC(=O)C1=C(C=CC(=C1OC)O)C(=O)O
InChI
InChI=1S/C10H10O5/c1-5(11)8-6(10(13)14)3-4-7(12)9(8)15-2/h3-4,12H,1-2H3,(H,13,14)
InChIKey
GMYHGDFFXVALJH-UHFFFAOYSA-N
Compound name
2-acetyl-4-hydroxy-3-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

210.05283 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06011 140.2
[M+Na]+ 233.04205 148.8
[M-H]- 209.04555 142.0
[M+NH4]+ 228.08665 157.9
[M+K]+ 249.01599 147.6
[M+H-H2O]+ 193.05009 135.0
[M+HCOO]- 255.05103 160.9
[M+CH3COO]- 269.06668 183.3
[M+Na-2H]- 231.02750 142.5
[M]+ 210.05228 142.5
[M]- 210.05338 142.5
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