CID 225519

4,6-dimethylpyridine-2-carbaldehyde

Structural Information

Molecular Formula
C8H9NO
SMILES
CC1=CC(=NC(=C1)C=O)C
InChI
InChI=1S/C8H9NO/c1-6-3-7(2)9-8(4-6)5-10/h3-5H,1-2H3
InChIKey
DHZPRCWNSJMCCN-UHFFFAOYSA-N
Compound name
4,6-dimethylpyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

135.06842 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 124.1
[M+Na]+ 158.05764 134.3
[M-H]- 134.06114 127.2
[M+NH4]+ 153.10224 145.3
[M+K]+ 174.03158 132.6
[M+H-H2O]+ 118.06568 118.4
[M+HCOO]- 180.06662 148.3
[M+CH3COO]- 194.08227 174.3
[M+Na-2H]- 156.04309 131.8
[M]+ 135.06787 125.8
[M]- 135.06897 125.8
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