CID 929130

15128-52-6

Structural Information

Molecular Formula

C₁₂H₁₁NO

SMILES

C1CC2=C(C(=O)C1)C3=CC=CC=C3N2

InChI

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

InChIKey

DSXKDTZEIWTHRO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 216
Patents: 185.08406 Da
Monoisotopic Mass: 2.2
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	136.9
[M+Na]+	208.07328	146.6
[M-H]-	184.07678	140.1
[M+NH4]+	203.11788	158.9
[M+K]+	224.04722	141.5
[M+H-H2O]+	168.08132	130.9
[M+HCOO]-	230.08226	157.2
[M+CH3COO]-	244.09791	150.4
[M+Na-2H]-	206.05873	144.2
[M]+	185.08351	135.0
[M]-	185.08461	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe