CID 54396769

3-ethylpyridine-2-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

135.06842 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 124.8
[M+Na]+ 158.057638 134.0
[M-H]- 134.061144 127.5
[M+NH4]+ 153.102243 145.7
[M+K]+ 174.031578 132.3
[M+H-H2O]+ 118.065680 118.8
[M+HCOO]- 180.066621 149.0
[M+CH3COO]- 194.082271 173.2
[M+Na-2H]- 156.043086 133.1
[M]+ 135.06787142 126.1
[M]- 135.06896858 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