CID 3530562

(s)-actinidine

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CC1CCC2=C1C=NC=C2C

InChI

InChI=1S/C10H13N/c1-7-3-4-9-8(2)5-11-6-10(7)9/h5-7H,3-4H2,1-2H3

InChIKey

ZHQQRIUYLMXDPP-UHFFFAOYSA-N

Compound name

4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 11
References: 1485
Patents: 147.1048 Da
Monoisotopic Mass: 2.4
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]+	148.112076	130.2
[M+Na]+	170.094018	139.6
[M-H]-	146.097524	133.8
[M+NH4]+	165.138623	153.7
[M+K]+	186.067958	137.0
[M+H-H2O]+	130.102060	124.5
[M+HCOO]-	192.103001	152.5
[M+CH3COO]-	206.118651	177.0
[M+Na-2H]-	168.079466	136.2
[M]+	147.10425142	129.9
[M]-	147.10534858	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe