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]+ 163.05020 134.8
[M+Na]+ 185.03214 145.5
[M+NH4]+ 180.07674 138.7
[M+K]+ 201.00608 137.9
[M-H]- 161.03564 128.8
[M+Na-2H]- 183.01759 137.7
[M]+ 162.04237 133.6
[M]- 162.04347 133.6
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.