CID 21484953

780801-25-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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

No literature data available for this compound.

Patent stripe

patents stripe