CID 67233206

5-hydroxy-6-methylpyridine-2-carbonitrile

Structural Information

Molecular Formula
C7H6N2O
SMILES
CC1=C(C=CC(=N1)C#N)O
InChI
InChI=1S/C7H6N2O/c1-5-7(10)3-2-6(4-8)9-5/h2-3,10H,1H3
InChIKey
REROTIHWEKPFOR-UHFFFAOYSA-N
Compound name
5-hydroxy-6-methylpyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

134.04802 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.055296 124.7
[M+Na]+ 157.037238 136.0
[M-H]- 133.040744 126.1
[M+NH4]+ 152.081843 143.0
[M+K]+ 173.011178 133.5
[M+H-H2O]+ 117.045280 112.6
[M+HCOO]- 179.046221 143.8
[M+CH3COO]- 193.061871 184.1
[M+Na-2H]- 155.022686 131.7
[M]+ 134.04747142 119.6
[M]- 134.04856858 119.6
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

patents stripe