CID 12357332

67720-26-7

Structural Information

Molecular Formula

C₁₂H₁₃N

SMILES

C1CCC2=C(C1)C=CC3=C2NC=C3

InChI

InChI=1S/C12H13N/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h5-8,13H,1-4H2

InChIKey

VOGFQCWPTBIAFM-UHFFFAOYSA-N

Compound name

6,7,8,9-tetrahydro-1H-benzo[g]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 171.1048 Da
Monoisotopic Mass: 3.4
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]+	172.112076	134.5
[M+Na]+	194.094018	143.0
[M-H]-	170.097524	137.2
[M+NH4]+	189.138623	156.8
[M+K]+	210.067958	138.0
[M+H-H2O]+	154.102060	128.2
[M+HCOO]-	216.103001	154.4
[M+CH3COO]-	230.118651	147.6
[M+Na-2H]-	192.079466	142.4
[M]+	171.10425142	131.4
[M]-	171.10534858	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe