CID 24730310

924817-85-6

Structural Information

Molecular Formula
C14H13NO
SMILES
CC1=C(C(=CC=C1)C2=NC=C(C=C2)C=O)C
InChI
InChI=1S/C14H13NO/c1-10-4-3-5-13(11(10)2)14-7-6-12(9-16)8-15-14/h3-9H,1-2H3
InChIKey
DUVJYKDWGONFFQ-UHFFFAOYSA-N
Compound name
6-(2,3-dimethylphenyl)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.09972 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10700 145.5
[M+Na]+ 234.08894 155.3
[M-H]- 210.09244 151.6
[M+NH4]+ 229.13354 163.4
[M+K]+ 250.06288 151.2
[M+H-H2O]+ 194.09698 137.8
[M+HCOO]- 256.09792 169.0
[M+CH3COO]- 270.11357 189.3
[M+Na-2H]- 232.07439 151.6
[M]+ 211.09917 147.0
[M]- 211.10027 147.0
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.