CID 6445873

Pyrindicin hydrochloride

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: 2
Patents: 189.15175 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	190.15903	145.4
[M+Na]+	212.14097	157.3
[M+NH4]+	207.18557	154.9
[M+K]+	228.11491	150.9
[M-H]-	188.14447	147.6
[M+Na-2H]-	210.12642	149.9
[M]+	189.15120	147.6
[M]-	189.15230	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe