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
2
Annotation Hits

0
References

23
Patents

266.17828 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 162.3
[M+Na]+ 289.16750 171.9
[M-H]- 265.17100 170.0
[M+NH4]+ 284.21210 185.3
[M+K]+ 305.14144 166.1
[M+H-H2O]+ 249.17554 156.2
[M+HCOO]- 311.17648 185.4
[M+CH3COO]- 325.19213 175.1
[M+Na-2H]- 287.15295 166.1
[M]+ 266.17773 160.0
[M]- 266.17883 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