CID 56604447

1349715-66-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

210.07932 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.086596 148.2
[M+Na]+ 233.068538 158.7
[M-H]- 209.072044 151.2
[M+NH4]+ 228.113143 163.0
[M+K]+ 249.042478 152.9
[M+H-H2O]+ 193.076580 134.1
[M+HCOO]- 255.077521 166.6
[M+CH3COO]- 269.093171 159.1
[M+Na-2H]- 231.053986 154.0
[M]+ 210.07877142 142.4
[M]- 210.07986858 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