CID 10583428

Methyl 5-cyano-2-hydroxybenzoate

Structural Information

Molecular Formula
C9H7NO3
SMILES
COC(=O)C1=C(C=CC(=C1)C#N)O
InChI
InChI=1S/C9H7NO3/c1-13-9(12)7-4-6(5-10)2-3-8(7)11/h2-4,11H,1H3
InChIKey
WNLGGSGBOQGUHV-UHFFFAOYSA-N
Compound name
methyl 5-cyano-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

177.04259 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.049866 136.5
[M+Na]+ 200.031808 147.2
[M-H]- 176.035314 139.2
[M+NH4]+ 195.076413 154.3
[M+K]+ 216.005748 145.0
[M+H-H2O]+ 160.039850 124.8
[M+HCOO]- 222.040791 156.0
[M+CH3COO]- 236.056441 190.2
[M+Na-2H]- 198.017256 141.2
[M]+ 177.04204142 132.9
[M]- 177.04313858 132.9
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

patents stripe