CID 13523705

74373-41-4

Structural Information

Molecular Formula

C₁₄H₁₉N

SMILES

CC1=CC2=C(C(=C1C)C)C(=C(N2C)C)C

InChI

InChI=1S/C14H19N/c1-8-7-13-14(10(3)9(8)2)11(4)12(5)15(13)6/h7H,1-6H3

InChIKey

QVZPYSYJOQFWJP-UHFFFAOYSA-N

Compound name

1,2,3,4,5,6-hexamethylindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 201.15175 Da
Monoisotopic Mass: 3.9
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]+	202.159026	143.7
[M+Na]+	224.140968	157.1
[M-H]-	200.144474	148.9
[M+NH4]+	219.185573	166.6
[M+K]+	240.114908	153.1
[M+H-H2O]+	184.149010	138.5
[M+HCOO]-	246.149951	167.4
[M+CH3COO]-	260.165601	193.2
[M+Na-2H]-	222.126416	146.8
[M]+	201.15120142	149.3
[M]-	201.15229858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe