CID 74788154

5-ethenylpyridine-3-carbaldehyde hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.05276 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.060036 123.4
[M+Na]+ 156.041978 132.9
[M-H]- 132.045484 126.1
[M+NH4]+ 151.086583 144.3
[M+K]+ 172.015918 130.5
[M+H-H2O]+ 116.050020 117.5
[M+HCOO]- 178.050961 147.7
[M+CH3COO]- 192.066611 172.3
[M+Na-2H]- 154.027426 131.8
[M]+ 133.05221142 124.0
[M]- 133.05330858 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

No patent data available for this compound.