CID 3034840

1-(4-aminophenyl)-1,3,3-trimethylindan-ar-amine

Structural Information

Molecular Formula
C18H22N2
SMILES
CC1=C(C=CC(=C1)C2(CC(C3=CC=CC=C32)(C)C)N)N
InChI
InChI=1S/C18H22N2/c1-12-10-13(8-9-16(12)19)18(20)11-17(2,3)14-6-4-5-7-15(14)18/h4-10H,11,19-20H2,1-3H3
InChIKey
CDPPNARRSRDJMF-UHFFFAOYSA-N
Compound name
1-(4-amino-3-methylphenyl)-3,3-dimethyl-2H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

30
Patents

266.17828 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe