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
6
Annotation Hits

79
References

30733
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 116.0
[M+Na]+ 130.02634 125.1
[M-H]- 106.02984 118.7
[M+NH4]+ 125.07094 137.7
[M+K]+ 146.00028 123.9
[M+H-H2O]+ 90.034380 110.2
[M+HCOO]- 152.03532 140.8
[M+CH3COO]- 166.05097 166.0
[M+Na-2H]- 128.01179 126.2
[M]+ 107.03657 116.2
[M]- 107.03767 116.2
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

No patent data available for this compound.