CID 10867037

51145-61-0

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]+	186.09134	137.9
[M+Na]+	208.07328	151.9
[M+NH4]+	203.11788	147.9
[M+K]+	224.04722	145.9
[M-H]-	184.07678	140.5
[M+Na-2H]-	206.05873	144.0
[M]+	185.08351	140.6
[M]-	185.08461	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe