CID 3017334

Einecs 263-514-6

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

CC1CCC(=O)C2=C1C3=C(N2)C=CC(=C3)OC

InChI

InChI=1S/C14H15NO2/c1-8-3-6-12(16)14-13(8)10-7-9(17-2)4-5-11(10)15-14/h4-5,7-8,15H,3,6H2,1-2H3

InChIKey

PJNGBIPCXWVPLG-UHFFFAOYSA-N

Compound name

6-methoxy-4-methyl-2,3,4,9-tetrahydrocarbazol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.11028 Da
Monoisotopic Mass: 2.8
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]+	230.117556	149.7
[M+Na]+	252.099498	160.1
[M-H]-	228.103004	153.2
[M+NH4]+	247.144103	170.4
[M+K]+	268.073438	155.2
[M+H-H2O]+	212.107540	143.6
[M+HCOO]-	274.108481	169.3
[M+CH3COO]-	288.124131	162.7
[M+Na-2H]-	250.084946	154.5
[M]+	229.10973142	150.6
[M]-	229.11082858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.