CID 12026125

2-ethylpyridine-4-carbaldehyde

Structural Information

Molecular Formula
C8H9NO
SMILES
CCC1=NC=CC(=C1)C=O
InChI
InChI=1S/C8H9NO/c1-2-8-5-7(6-10)3-4-9-8/h3-6H,2H2,1H3
InChIKey
XCEBDCHWDTZQFO-UHFFFAOYSA-N
Compound name
2-ethylpyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

135.06842 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 124.8
[M+Na]+ 158.05764 134.0
[M-H]- 134.06114 127.5
[M+NH4]+ 153.10224 145.7
[M+K]+ 174.03158 132.3
[M+H-H2O]+ 118.06568 118.8
[M+HCOO]- 180.06662 149.0
[M+CH3COO]- 194.08227 173.2
[M+Na-2H]- 156.04309 133.1
[M]+ 135.06787 126.1
[M]- 135.06897 126.1
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