CID 6445873

2h-1-pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (e)-(+)-

Structural Information

Molecular Formula
C13H19N
SMILES
CC/C=C/C1=C2CC(CN=C2CC1)C
InChI
InChI=1S/C13H19N/c1-3-4-5-11-6-7-13-12(11)8-10(2)9-14-13/h4-5,10H,3,6-9H2,1-2H3/b5-4+
InChIKey
NSNMNJUDJJAUJI-SNAWJCMRSA-N
Compound name
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

189.15175 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 145.3
[M+Na]+ 212.140968 152.6
[M-H]- 188.144474 147.9
[M+NH4]+ 207.185573 166.9
[M+K]+ 228.114908 148.8
[M+H-H2O]+ 172.149010 138.9
[M+HCOO]- 234.149951 165.2
[M+CH3COO]- 248.165601 184.9
[M+Na-2H]- 210.126416 148.5
[M]+ 189.15120142 143.7
[M]- 189.15229858 143.7
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