CID 56972623

Pyridine, 2-(1z)-1-butenyl-

Structural Information

Molecular Formula
C9H13N
SMILES
C/C=C\CN1CC=CC=C1
InChI
InChI=1S/C9H13N/c1-2-3-7-10-8-5-4-6-9-10/h2-6,8H,7,9H2,1H3/b3-2-
InChIKey
BKWFANKRKVPPHO-IHWYPQMZSA-N
Compound name
1-[(Z)-but-2-enyl]-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

135.1048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.112076 128.8
[M+Na]+ 158.094018 135.6
[M-H]- 134.097524 130.6
[M+NH4]+ 153.138623 149.4
[M+K]+ 174.067958 133.4
[M+H-H2O]+ 118.102060 122.5
[M+HCOO]- 180.103001 150.9
[M+CH3COO]- 194.118651 172.9
[M+Na-2H]- 156.079466 136.3
[M]+ 135.10425142 127.1
[M]- 135.10534858 127.1
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.