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

115
Patents

267.16232 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.169596 163.0
[M+Na]+ 290.151538 167.0
[M-H]- 266.155044 171.1
[M+NH4]+ 285.196143 178.1
[M+K]+ 306.125478 162.2
[M+H-H2O]+ 250.159580 154.0
[M+HCOO]- 312.160521 183.6
[M+CH3COO]- 326.176171 173.5
[M+Na-2H]- 288.136986 166.3
[M]+ 267.16177142 156.9
[M]- 267.16286858 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