CID 72225944

3-cyano-2-hydroxybenzamide

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=CC(=C(C(=C1)C(=O)N)O)C#N
InChI
InChI=1S/C8H6N2O2/c9-4-5-2-1-3-6(7(5)11)8(10)12/h1-3,11H,(H2,10,12)
InChIKey
SAEUEJLJJKWMFY-UHFFFAOYSA-N
Compound name
3-cyano-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.04292 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.050196 136.1
[M+Na]+ 185.032138 146.3
[M-H]- 161.035644 138.4
[M+NH4]+ 180.076743 153.8
[M+K]+ 201.006078 143.6
[M+H-H2O]+ 145.040180 124.3
[M+HCOO]- 207.041121 155.8
[M+CH3COO]- 221.056771 190.2
[M+Na-2H]- 183.017586 140.2
[M]+ 162.04237142 129.3
[M]- 162.04346858 129.3
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.