CID 12186384

6-(hydroxymethyl)pyridine-2-carboxaldehyde

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1=CC(=NC(=C1)C=O)CO
InChI
InChI=1S/C7H7NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-4,10H,5H2
InChIKey
USGRADVWEOYHGX-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

69
Patents

137.04768 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 124.3
[M+Na]+ 160.03690 133.4
[M-H]- 136.04040 125.7
[M+NH4]+ 155.08150 144.3
[M+K]+ 176.01084 131.4
[M+H-H2O]+ 120.04494 118.5
[M+HCOO]- 182.04588 147.5
[M+CH3COO]- 196.06153 169.5
[M+Na-2H]- 158.02235 132.6
[M]+ 137.04713 124.7
[M]- 137.04823 124.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe