CID 45359140

(r)-2,3,4,9-tetrahydro-1h-carbazol-3-amine

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

C1CC2=C(C[C@@H]1N)C3=CC=CC=C3N2

InChI

InChI=1S/C12H14N2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-4,8,14H,5-7,13H2/t8-/m1/s1

InChIKey

UFRCIKMHUAOIAT-MRVPVSSYSA-N

Compound name

(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 186.11569 Da
Monoisotopic Mass: 1.9
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]+	187.122966	137.9
[M+Na]+	209.104908	146.5
[M-H]-	185.108414	140.4
[M+NH4]+	204.149513	159.3
[M+K]+	225.078848	141.1
[M+H-H2O]+	169.112950	131.6
[M+HCOO]-	231.113891	158.2
[M+CH3COO]-	245.129541	150.6
[M+Na-2H]-	207.090356	144.7
[M]+	186.11514142	133.6
[M]-	186.11623858	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe