CID 3016901

54628-89-6

Structural Information

Molecular Formula

C₁₈H₂₂N₂

SMILES

CC1(CC(C2=C1C=C(C=C2)N)(C)C3=CC=C(C=C3)N)C

InChI

InChI=1S/C18H22N2/c1-17(2)11-18(3,12-4-6-13(19)7-5-12)15-9-8-14(20)10-16(15)17/h4-10H,11,19-20H2,1-3H3

InChIKey

CGSKOGYKWHUSLC-UHFFFAOYSA-N

Compound name

1-(4-aminophenyl)-1,3,3-trimethyl-2H-inden-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2438
Patents: 266.17828 Da
Monoisotopic Mass: 4.3
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]+	267.185556	162.3
[M+Na]+	289.167498	171.9
[M-H]-	265.171004	170.0
[M+NH4]+	284.212103	185.3
[M+K]+	305.141438	166.1
[M+H-H2O]+	249.175540	156.2
[M+HCOO]-	311.176481	185.4
[M+CH3COO]-	325.192131	175.1
[M+Na-2H]-	287.152946	166.1
[M]+	266.17773142	160.0
[M]-	266.17882858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe