CID 21702784

1211533-61-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 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

No literature data available for this compound.

Patent stripe

patents stripe