CID 15741630

2-methyl-octahydro-1h-indole

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CC1CC2CCCCC2N1

InChI

InChI=1S/C9H17N/c1-7-6-8-4-2-3-5-9(8)10-7/h7-10H,2-6H2,1H3

InChIKey

ZJHBAERTGJSGHX-UHFFFAOYSA-N

Compound name

2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 144
Patents: 139.1361 Da
Monoisotopic Mass: 2.1
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]+	140.14338	132.7
[M+Na]+	162.12532	137.9
[M-H]-	138.12882	133.4
[M+NH4]+	157.16992	155.1
[M+K]+	178.09926	135.3
[M+H-H2O]+	122.13336	126.9
[M+HCOO]-	184.13430	149.3
[M+CH3COO]-	198.14995	144.6
[M+Na-2H]-	160.11077	136.2
[M]+	139.13555	125.3
[M]-	139.13665	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe