CID 101920

932-35-4

Structural Information

Molecular Formula
C6H4N2O
SMILES
C1=CC(=C(N=C1)C#N)O
InChI
InChI=1S/C6H4N2O/c7-4-5-6(9)2-1-3-8-5/h1-3,9H
InChIKey
XTVFTOVNAKNVQK-UHFFFAOYSA-N
Compound name
3-hydroxypyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

628
Patents

120.032364 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.039640 121.1
[M+Na]+ 143.021582 131.9
[M-H]- 119.025088 122.1
[M+NH4]+ 138.066187 139.5
[M+K]+ 158.995522 129.5
[M+H-H2O]+ 103.029624 108.8
[M+HCOO]- 165.030565 140.4
[M+CH3COO]- 179.046215 180.3
[M+Na-2H]- 141.007030 129.1
[M]+ 120.03181542 115.2
[M]- 120.03291258 115.2
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