CID 81616

2,3-cycloheptenopyridine

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

C1CCC2=C(CC1)N=CC=C2

InChI

InChI=1S/C10H13N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h4,6,8H,1-3,5,7H2

InChIKey

CULUYAUTCSKQNM-UHFFFAOYSA-N

Compound name

6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 506
Patents: 147.1048 Da
Monoisotopic Mass: 2.6
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	126.6
[M+Na]+	170.094018	131.7
[M-H]-	146.097524	130.3
[M+NH4]+	165.138623	146.2
[M+K]+	186.067958	132.9
[M+H-H2O]+	130.102060	121.1
[M+HCOO]-	192.103001	146.1
[M+CH3COO]-	206.118651	139.2
[M+Na-2H]-	168.079466	135.3
[M]+	147.10425142	120.5
[M]-	147.10534858	120.5

Literature stripe

literature stripe

Patent stripe

patents stripe