CID 95732

Dodecahydro-1h-carbazole

Structural Information

Molecular Formula

C₁₂H₂₁N

SMILES

C1CCC2C(C1)C3CCCCC3N2

InChI

InChI=1S/C12H21N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h9-13H,1-8H2

InChIKey

SBVSDAFTZIVQEI-UHFFFAOYSA-N

Compound name

2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1117
Patents: 179.1674 Da
Monoisotopic Mass: 3.0
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]+	180.17468	143.1
[M+Na]+	202.15662	146.2
[M-H]-	178.16012	143.6
[M+NH4]+	197.20122	164.4
[M+K]+	218.13056	142.2
[M+H-H2O]+	162.16466	136.4
[M+HCOO]-	224.16560	155.5
[M+CH3COO]-	238.18125	153.1
[M+Na-2H]-	200.14207	145.5
[M]+	179.16685	132.5
[M]-	179.16795	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe