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: 131
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	132.2
[M+Na]+	162.12532	142.0
[M+NH4]+	157.16992	142.1
[M+K]+	178.09926	137.2
[M-H]-	138.12882	133.8
[M+Na-2H]-	160.11077	135.6
[M]+	139.13555	133.8
[M]-	139.13665	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe