CID 10371

3-pyridinecarboxaldehyde

Structural Information

Molecular Formula
C6H5NO
SMILES
C1=CC(=CN=C1)C=O
InChI
InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H
InChIKey
QJZUKDFHGGYHMC-UHFFFAOYSA-N
Compound name
pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

79
References

25570
Patents

107.03712 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.04440 117.6
[M+Na]+ 130.02634 131.6
[M+NH4]+ 125.07094 126.7
[M+K]+ 146.00028 124.9
[M-H]- 106.02984 119.6
[M+Na-2H]- 128.01179 126.3
[M]+ 107.03657 120.1
[M]- 107.03767 120.1
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