CID 529350

Schembl2305381

Structural Information

Molecular Formula
C9H11N
SMILES
CCC=CC1=CN=CC=C1
InChI
InChI=1S/C9H11N/c1-2-3-5-9-6-4-7-10-8-9/h3-8H,2H2,1H3
InChIKey
KTXMSWAHSUYOHZ-UHFFFAOYSA-N
Compound name
3-but-1-enylpyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

318
Patents

133.08914 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.096416 126.9
[M+Na]+ 156.078358 134.7
[M-H]- 132.081864 129.0
[M+NH4]+ 151.122963 147.6
[M+K]+ 172.052298 132.3
[M+H-H2O]+ 116.086400 120.6
[M+HCOO]- 178.087341 150.4
[M+CH3COO]- 192.102991 172.6
[M+Na-2H]- 154.063806 135.4
[M]+ 133.08859142 126.6
[M]- 133.08968858 126.6
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.