CID 105459836

2-cyano-4,5-dimethoxybenzoic acid

Structural Information

Molecular Formula
C10H9NO4
SMILES
COC1=C(C=C(C(=C1)C#N)C(=O)O)OC
InChI
InChI=1S/C10H9NO4/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-4H,1-2H3,(H,12,13)
InChIKey
RMSDCBWRUJYSTM-UHFFFAOYSA-N
Compound name
2-cyano-4,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.05316 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06044 141.5
[M+Na]+ 230.04238 152.3
[M-H]- 206.04588 144.3
[M+NH4]+ 225.08698 158.3
[M+K]+ 246.01632 150.7
[M+H-H2O]+ 190.05042 129.6
[M+HCOO]- 252.05136 160.8
[M+CH3COO]- 266.06701 196.6
[M+Na-2H]- 228.02783 145.2
[M]+ 207.05261 140.0
[M]- 207.05371 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.