CID 45079535

6-ethenylpyridine-2-carbaldehyde hydrochloride

Structural Information

Molecular Formula
C8H7NO
SMILES
C=CC1=NC(=CC=C1)C=O
InChI
InChI=1S/C8H7NO/c1-2-7-4-3-5-8(6-10)9-7/h2-6H,1H2
InChIKey
JCBPXAKSXUHFJT-UHFFFAOYSA-N
Compound name
6-ethenylpyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

133.05276 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06004 123.4
[M+Na]+ 156.04198 132.9
[M-H]- 132.04548 126.1
[M+NH4]+ 151.08658 144.3
[M+K]+ 172.01592 130.5
[M+H-H2O]+ 116.05002 117.5
[M+HCOO]- 178.05096 147.7
[M+CH3COO]- 192.06661 172.3
[M+Na-2H]- 154.02743 131.8
[M]+ 133.05221 124.0
[M]- 133.05331 124.0
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