CID 26189241

5-chloro-2-(2-cyclohexylethoxy)aniline

Structural Information

Molecular Formula
C14H20ClNO
SMILES
C1CCC(CC1)CCOC2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C14H20ClNO/c15-12-6-7-14(13(16)10-12)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,16H2
InChIKey
KZCCHVLYYVDGBZ-UHFFFAOYSA-N
Compound name
5-chloro-2-(2-cyclohexylethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.12334 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.130616 158.9
[M+Na]+ 276.112558 164.2
[M-H]- 252.116064 163.9
[M+NH4]+ 271.157163 176.1
[M+K]+ 292.086498 159.1
[M+H-H2O]+ 236.120600 152.2
[M+HCOO]- 298.121541 175.0
[M+CH3COO]- 312.137191 195.3
[M+Na-2H]- 274.098006 161.2
[M]+ 253.12279142 156.3
[M]- 253.12388858 156.3
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

No patent data available for this compound.