CID 117694

5-chloro-2,3,3-trimethyl-3h-indole

Structural Information

Molecular Formula

C₁₁H₁₂ClN

SMILES

CC1=NC2=C(C1(C)C)C=C(C=C2)Cl

InChI

InChI=1S/C11H12ClN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3

InChIKey

GSKATGIMEUGNJN-UHFFFAOYSA-N

Compound name

5-chloro-2,3,3-trimethylindole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 83
Patents: 193.06583 Da
Monoisotopic Mass: 2.9
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]+	194.07311	138.2
[M+Na]+	216.05505	153.7
[M+NH4]+	211.09965	150.1
[M+K]+	232.02899	145.2
[M-H]-	192.05855	141.2
[M+Na-2H]-	214.04050	146.7
[M]+	193.06528	142.0
[M]-	193.06638	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe