CID 44228479

2253632-38-9

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

CC1CCC2CCCNC2C1

InChI

InChI=1S/C10H19N/c1-8-4-5-9-3-2-6-11-10(9)7-8/h8-11H,2-7H2,1H3

InChIKey

NTFIZKBFGDVPFN-UHFFFAOYSA-N

Compound name

7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 153.15175 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]+	154.159026	136.3
[M+Na]+	176.140968	140.0
[M-H]-	152.144474	136.5
[M+NH4]+	171.185573	156.2
[M+K]+	192.114908	137.2
[M+H-H2O]+	136.149010	129.9
[M+HCOO]-	198.149951	150.3
[M+CH3COO]-	212.165601	174.7
[M+Na-2H]-	174.126416	140.8
[M]+	153.15120142	127.0
[M]-	153.15229858	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe