CID 8817

2-methyl-5-vinylpyridine

Structural Information

Molecular Formula
C8H9N
SMILES
CC1=NC=C(C=C1)C=C
InChI
InChI=1S/C8H9N/c1-3-8-5-4-7(2)9-6-8/h3-6H,1H2,2H3
InChIKey
VJOWMORERYNYON-UHFFFAOYSA-N
Compound name
5-ethenyl-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

5
References

9803
Patents

119.0735 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08078 121.3
[M+Na]+ 142.06272 130.5
[M-H]- 118.06622 124.0
[M+NH4]+ 137.10732 142.9
[M+K]+ 158.03666 128.4
[M+H-H2O]+ 102.07076 115.6
[M+HCOO]- 164.07170 145.2
[M+CH3COO]- 178.08735 171.2
[M+Na-2H]- 140.04817 129.7
[M]+ 119.07295 121.2
[M]- 119.07405 121.2
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