CID 15109

2,6-dimethoxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

20
References

1368
Patents

182.0579 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 134.4
[M+Na]+ 205.04712 143.1
[M-H]- 181.05062 137.4
[M+NH4]+ 200.09172 154.0
[M+K]+ 221.02106 142.4
[M+H-H2O]+ 165.05516 129.0
[M+HCOO]- 227.05610 157.6
[M+CH3COO]- 241.07175 179.1
[M+Na-2H]- 203.03257 139.6
[M]+ 182.05735 137.7
[M]- 182.05845 137.7
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