CID 76027

2,5-dimethoxybenzoic acid

Structural Information

Molecular Formula
C9H10O4
SMILES
COC1=CC(=C(C=C1)OC)C(=O)O
InChI
InChI=1S/C9H10O4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKey
NYJBTJMNTNCTCP-UHFFFAOYSA-N
Compound name
2,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1073
Patents

182.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 135.8
[M+Na]+ 205.04712 147.8
[M+NH4]+ 200.09172 143.0
[M+K]+ 221.02106 143.3
[M-H]- 181.05062 136.3
[M+Na-2H]- 203.03257 141.3
[M]+ 182.05735 137.5
[M]- 182.05845 137.5
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