CID 3719149

2-(4-formylphenyl)-6-(hydroxymethyl)pyridine

Structural Information

Molecular Formula
C13H11NO2
SMILES
C1=CC(=NC(=C1)C2=CC=C(C=C2)C=O)CO
InChI
InChI=1S/C13H11NO2/c15-8-10-4-6-11(7-5-10)13-3-1-2-12(9-16)14-13/h1-8,16H,9H2
InChIKey
RZHVETZHBRUIJF-UHFFFAOYSA-N
Compound name
4-[6-(hydroxymethyl)pyridin-2-yl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

213.07898 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08626 145.3
[M+Na]+ 236.06820 154.0
[M-H]- 212.07170 149.7
[M+NH4]+ 231.11280 161.9
[M+K]+ 252.04214 149.8
[M+H-H2O]+ 196.07624 137.6
[M+HCOO]- 258.07718 167.8
[M+CH3COO]- 272.09283 184.6
[M+Na-2H]- 234.05365 152.1
[M]+ 213.07843 145.6
[M]- 213.07953 145.6
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