CID 71211

Nicoxamat

Structural Information

Molecular Formula
C6H6N2O2
SMILES
C1=CC(=CN=C1)C(=O)NO
InChI
InChI=1S/C6H6N2O2/c9-6(8-10)5-2-1-3-7-4-5/h1-4,10H,(H,8,9)
InChIKey
IYCHDNQCHLMLJZ-UHFFFAOYSA-N
Compound name
N-hydroxypyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

876
Patents

138.04292 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05020 124.7
[M+Na]+ 161.03214 132.2
[M-H]- 137.03564 126.0
[M+NH4]+ 156.07674 143.9
[M+K]+ 177.00608 130.8
[M+H-H2O]+ 121.04018 118.4
[M+HCOO]- 183.04112 148.2
[M+CH3COO]- 197.05677 170.4
[M+Na-2H]- 159.01759 133.2
[M]+ 138.04237 122.9
[M]- 138.04347 122.9
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