CID 208741

32920-60-8

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

C1CC2=CC=CC=C2C3C1NCC3

InChI

InChI=1S/C12H15N/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12/h1-4,11-13H,5-8H2

InChIKey

GWYZNBPESTULJZ-UHFFFAOYSA-N

Compound name

2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 173.12045 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]+	174.12773	137.4
[M+Na]+	196.10967	143.8
[M-H]-	172.11317	139.2
[M+NH4]+	191.15427	159.4
[M+K]+	212.08361	139.2
[M+H-H2O]+	156.11771	131.0
[M+HCOO]-	218.11865	154.3
[M+CH3COO]-	232.13430	149.3
[M+Na-2H]-	194.09512	143.2
[M]+	173.11990	131.3
[M]-	173.12100	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe