CID 14272

3-vinylpyridine

Structural Information

Molecular Formula
C7H7N
SMILES
C=CC1=CN=CC=C1
InChI
InChI=1S/C7H7N/c1-2-7-4-3-5-8-6-7/h2-6H,1H2
InChIKey
DPZYLEIWHTWHCU-UHFFFAOYSA-N
Compound name
3-ethenylpyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

8959
Patents

105.057846 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.06512 117.3
[M+Na]+ 128.04706 125.9
[M-H]- 104.05057 119.7
[M+NH4]+ 123.09167 139.0
[M+K]+ 144.02100 124.0
[M+H-H2O]+ 88.055106 111.5
[M+HCOO]- 150.05605 141.5
[M+CH3COO]- 164.07170 167.1
[M+Na-2H]- 126.03251 126.9
[M]+ 105.05730 116.3
[M]- 105.05839 116.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe