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]+ 136.11208 128.8
[M+Na]+ 158.09402 135.6
[M-H]- 134.09752 130.6
[M+NH4]+ 153.13862 149.4
[M+K]+ 174.06796 133.4
[M+H-H2O]+ 118.10206 122.5
[M+HCOO]- 180.10300 150.9
[M+CH3COO]- 194.11865 172.9
[M+Na-2H]- 156.07947 136.3
[M]+ 135.10425 127.1
[M]- 135.10535 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.