CID 81047

2,3-cyclododecenopyridine

Structural Information

Molecular Formula

C₁₅H₂₃N

SMILES

C1CCCCCC2=C(CCCC1)C=CC=N2

InChI

InChI=1S/C15H23N/c1-2-4-6-8-12-15-14(10-7-5-3-1)11-9-13-16-15/h9,11,13H,1-8,10,12H2

InChIKey

KEOGXNQAWCDJJN-UHFFFAOYSA-N

Compound name

5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 104
Patents: 217.18304 Da
Monoisotopic Mass: 5.3
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]+	218.190316	149.6
[M+Na]+	240.172258	152.5
[M-H]-	216.175764	148.9
[M+NH4]+	235.216863	164.4
[M+K]+	256.146198	150.2
[M+H-H2O]+	200.180300	145.0
[M+HCOO]-	262.181241	165.1
[M+CH3COO]-	276.196891	158.8
[M+Na-2H]-	238.157706	154.2
[M]+	217.18249142	139.5
[M]-	217.18358858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe