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]+ 148.07570 128.2
[M+Na]+ 170.05764 137.0
[M-H]- 146.06114 130.8
[M+NH4]+ 165.10224 148.4
[M+K]+ 186.03158 134.8
[M+H-H2O]+ 130.06568 122.1
[M+HCOO]- 192.06662 151.2
[M+CH3COO]- 206.08227 176.2
[M+Na-2H]- 168.04309 134.7
[M]+ 147.06787 128.5
[M]- 147.06897 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

No patent data available for this compound.