CID 10725391

4-(hydroxymethyl)pyridine-2-carbonitrile

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CN=C(C=C1CO)C#N
InChI
InChI=1S/C7H6N2O/c8-4-7-3-6(5-10)1-2-9-7/h1-3,10H,5H2
InChIKey
ZJSSDJCFSASGNQ-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

343
Patents

134.04802 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 125.0
[M+Na]+ 157.03724 135.5
[M-H]- 133.04074 126.0
[M+NH4]+ 152.08184 142.9
[M+K]+ 173.01118 132.9
[M+H-H2O]+ 117.04528 112.5
[M+HCOO]- 179.04622 144.1
[M+CH3COO]- 193.06187 183.0
[M+Na-2H]- 155.02269 132.6
[M]+ 134.04747 119.5
[M]- 134.04857 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