CID 20746

3-methyl-9h-carbazole

Structural Information

Molecular Formula

C₁₃H₁₁N

SMILES

CC1=CC2=C(C=C1)NC3=CC=CC=C32

InChI

InChI=1S/C13H11N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3

InChIKey

PHKYYUQQYARDIU-UHFFFAOYSA-N

Compound name

3-methyl-9H-carbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1522
Patents: 181.08914 Da
Monoisotopic Mass: 4.1
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]+	182.09642	136.5
[M+Na]+	204.07836	147.7
[M-H]-	180.08186	140.3
[M+NH4]+	199.12296	159.0
[M+K]+	220.05230	142.1
[M+H-H2O]+	164.08640	130.5
[M+HCOO]-	226.08734	159.0
[M+CH3COO]-	240.10299	150.8
[M+Na-2H]-	202.06381	145.3
[M]+	181.08859	137.1
[M]-	181.08969	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe