CID 10867037

4,9-dihydro-1h-carbazol-3(2h)-one

Structural Information

Molecular Formula

C₁₂H₁₁NO

SMILES

C1CC2=C(CC1=O)C3=CC=CC=C3N2

InChI

InChI=1S/C12H11NO/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-4,13H,5-7H2

InChIKey

MTTUMRIEUVCVNO-UHFFFAOYSA-N

Compound name

1,2,4,9-tetrahydrocarbazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 87
Patents: 185.08406 Da
Monoisotopic Mass: 1.8
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]+	186.091336	136.9
[M+Na]+	208.073278	146.6
[M-H]-	184.076784	140.1
[M+NH4]+	203.117883	158.9
[M+K]+	224.047218	141.5
[M+H-H2O]+	168.081320	130.9
[M+HCOO]-	230.082261	157.2
[M+CH3COO]-	244.097911	150.4
[M+Na-2H]-	206.058726	144.2
[M]+	185.08351142	135.0
[M]-	185.08460858	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe