CID 13292599

51454-63-8

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CN=C(C=C1C#N)CO
InChI
InChI=1S/C7H6N2O/c8-4-6-1-2-9-7(3-6)5-10/h1-3,10H,5H2
InChIKey
MMVBJOBTOMJNHE-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

134.04802 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.055296 125.0
[M+Na]+ 157.037238 135.5
[M-H]- 133.040744 126.0
[M+NH4]+ 152.081843 142.9
[M+K]+ 173.011178 132.9
[M+H-H2O]+ 117.045280 112.5
[M+HCOO]- 179.046221 144.1
[M+CH3COO]- 193.061871 183.0
[M+Na-2H]- 155.022686 132.6
[M]+ 134.04747142 119.5
[M]- 134.04856858 119.5
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