CID 768325

3282-99-3

Structural Information

Molecular Formula
C18H22N2
SMILES
C1CCC(CC1)(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
InChI
InChI=1S/C18H22N2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11H,1-3,12-13,19-20H2
InChIKey
ZSQIQUAKDNTQOI-UHFFFAOYSA-N
Compound name
4-[1-(4-aminophenyl)cyclohexyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

2394
Patents

266.17828 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.185556 164.0
[M+Na]+ 289.167498 168.5
[M-H]- 265.171004 172.0
[M+NH4]+ 284.212103 180.8
[M+K]+ 305.141438 163.0
[M+H-H2O]+ 249.175540 155.4
[M+HCOO]- 311.176481 184.9
[M+CH3COO]- 325.192131 174.4
[M+Na-2H]- 287.152946 167.7
[M]+ 266.17773142 155.4
[M]- 266.17882858 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe