CID 56604446

1349708-67-3

Structural Information

Molecular Formula
C13H10N2O
SMILES
C1=CC(=CC(=C1)C2=NC=C(C=C2)C#N)CO
InChI
InChI=1S/C13H10N2O/c14-7-11-4-5-13(15-8-11)12-3-1-2-10(6-12)9-16/h1-6,8,16H,9H2
InChIKey
ABWVDSRYLVXBNG-UHFFFAOYSA-N
Compound name
6-[3-(hydroxymethyl)phenyl]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

210.07932 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08660 148.2
[M+Na]+ 233.06854 158.7
[M-H]- 209.07204 151.2
[M+NH4]+ 228.11314 163.0
[M+K]+ 249.04248 152.9
[M+H-H2O]+ 193.07658 134.1
[M+HCOO]- 255.07752 166.6
[M+CH3COO]- 269.09317 159.1
[M+Na-2H]- 231.05399 154.0
[M]+ 210.07877 142.4
[M]- 210.07987 142.4
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