CID 607984

6-methyl-2,3,4,9-tetrahydro-1h-carbazol-1-one

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

CC1=CC2=C(C=C1)NC3=C2CCCC3=O

InChI

InChI=1S/C13H13NO/c1-8-5-6-11-10(7-8)9-3-2-4-12(15)13(9)14-11/h5-7,14H,2-4H2,1H3

InChIKey

ITWUGZSJDMBOPH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 97
Patents: 199.09972 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]+	200.10700	142.2
[M+Na]+	222.08894	156.4
[M+NH4]+	217.13354	152.1
[M+K]+	238.06288	150.3
[M-H]-	198.09244	144.8
[M+Na-2H]-	220.07439	147.8
[M]+	199.09917	145.0
[M]-	199.10027	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe