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

12
Patents

134.04802 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 124.7
[M+Na]+ 157.03724 136.0
[M-H]- 133.04074 126.1
[M+NH4]+ 152.08184 143.0
[M+K]+ 173.01118 133.5
[M+H-H2O]+ 117.04528 112.6
[M+HCOO]- 179.04622 143.8
[M+CH3COO]- 193.06187 184.1
[M+Na-2H]- 155.02269 131.7
[M]+ 134.04747 119.6
[M]- 134.04857 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