CID 130118991

3-(prop-1-en-2-yl)pyridine-4-carbaldehyde

Structural Information

Molecular Formula
C9H9NO
SMILES
CC(=C)C1=C(C=CN=C1)C=O
InChI
InChI=1S/C9H9NO/c1-7(2)9-5-10-4-3-8(9)6-11/h3-6H,1H2,2H3
InChIKey
OYZAAGBWAWRNOI-UHFFFAOYSA-N
Compound name
3-prop-1-en-2-ylpyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.06842 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 128.2
[M+Na]+ 170.057638 137.0
[M-H]- 146.061144 130.8
[M+NH4]+ 165.102243 148.4
[M+K]+ 186.031578 134.8
[M+H-H2O]+ 130.065680 122.1
[M+HCOO]- 192.066621 151.2
[M+CH3COO]- 206.082271 176.2
[M+Na-2H]- 168.043086 134.7
[M]+ 147.06787142 128.5
[M]- 147.06896858 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

No patent data available for this compound.