CID 13945813

71532-24-6

Structural Information

Molecular Formula
C9H11N
SMILES
C=CCCC1=CN=CC=C1
InChI
InChI=1S/C9H11N/c1-2-3-5-9-6-4-7-10-8-9/h2,4,6-8H,1,3,5H2
InChIKey
AXYMVRAJICZMIT-UHFFFAOYSA-N
Compound name
3-but-3-enylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

272
Patents

133.08914 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09642 127.9
[M+Na]+ 156.07836 141.8
[M+NH4]+ 151.12296 137.1
[M+K]+ 172.05230 133.8
[M-H]- 132.08186 130.3
[M+Na-2H]- 154.06381 136.3
[M]+ 133.08859 130.6
[M]- 133.08969 130.6
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