CID 92504

4-(2-cyclohexylphenoxy)aniline

Structural Information

Molecular Formula
C18H21NO
SMILES
C1CCC(CC1)C2=CC=CC=C2OC3=CC=C(C=C3)N
InChI
InChI=1S/C18H21NO/c19-15-10-12-16(13-11-15)20-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7,19H2
InChIKey
PLVQWNLOOHOANK-UHFFFAOYSA-N
Compound name
4-(2-cyclohexylphenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

267.16232 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 163.0
[M+Na]+ 290.15154 167.0
[M-H]- 266.15504 171.1
[M+NH4]+ 285.19614 178.1
[M+K]+ 306.12548 162.2
[M+H-H2O]+ 250.15958 154.0
[M+HCOO]- 312.16052 183.6
[M+CH3COO]- 326.17617 173.5
[M+Na-2H]- 288.13699 166.3
[M]+ 267.16177 156.9
[M]- 267.16287 156.9
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