CID 2762984

201286-64-8

Structural Information

Molecular Formula
C8H9NO
SMILES
CC1=CN=CC(=C1C=O)C
InChI
InChI=1S/C8H9NO/c1-6-3-9-4-7(2)8(6)5-10/h3-5H,1-2H3
InChIKey
YGGVZAGIBPEDDT-UHFFFAOYSA-N
Compound name
3,5-dimethylpyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

135.06842 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 125.9
[M+Na]+ 158.05764 140.2
[M+NH4]+ 153.10224 134.7
[M+K]+ 174.03158 133.4
[M-H]- 134.06114 127.9
[M+Na-2H]- 156.04309 133.6
[M]+ 135.06787 128.5
[M]- 135.06897 128.5
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