CID 594548

2,3,3-trimethyl-3h-indol-5-amine

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

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

InChI

InChI=1S/C11H14N2/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,12H2,1-3H3

InChIKey

CPPYFOCHFCYAQQ-UHFFFAOYSA-N

Compound name

2,3,3-trimethylindol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 44
Patents: 174.11569 Da
Monoisotopic Mass: 1.6
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]+	175.12297	136.7
[M+Na]+	197.10491	149.7
[M+NH4]+	192.14951	147.6
[M+K]+	213.07885	142.8
[M-H]-	173.10841	139.7
[M+Na-2H]-	195.09036	144.3
[M]+	174.11514	139.6
[M]-	174.11624	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe