CID 13945813

3-(3-buten-1-yl)pyridine

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

264
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 126.6
[M+Na]+ 156.07836 134.4
[M-H]- 132.08186 128.7
[M+NH4]+ 151.12296 147.3
[M+K]+ 172.05230 132.0
[M+H-H2O]+ 116.08640 120.3
[M+HCOO]- 178.08734 150.2
[M+CH3COO]- 192.10299 173.2
[M+Na-2H]- 154.06381 135.1
[M]+ 133.08859 126.4
[M]- 133.08969 126.4
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