CID 107275

Octahydro-1h-indole

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

C1CCC2C(C1)CCN2

InChI

InChI=1S/C8H15N/c1-2-4-8-7(3-1)5-6-9-8/h7-9H,1-6H2

InChIKey

PDELQDSYLBLPQO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 6678
Patents: 125.12045 Da
Monoisotopic Mass: 1.6
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]+	126.12773	128.3
[M+Na]+	148.10967	138.0
[M+NH4]+	143.15427	138.3
[M+K]+	164.08361	133.1
[M-H]-	124.11317	129.9
[M+Na-2H]-	146.09512	132.2
[M]+	125.11990	129.9
[M]-	125.12100	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe