CID 3065067

O-cresol, 4-cyclohexyl-alpha-(diethylamino)-, hydrochloride

Structural Information

Molecular Formula
C17H27NO
SMILES
CCN(CC)CC1=C(C=CC(=C1)C2CCCCC2)O
InChI
InChI=1S/C17H27NO/c1-3-18(4-2)13-16-12-15(10-11-17(16)19)14-8-6-5-7-9-14/h10-12,14,19H,3-9,13H2,1-2H3
InChIKey
JKMHNQQKCPDKBY-UHFFFAOYSA-N
Compound name
4-cyclohexyl-2-(diethylaminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.20926 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.21654 165.7
[M+Na]+ 284.19848 176.9
[M+NH4]+ 279.24308 174.5
[M+K]+ 300.17242 169.1
[M-H]- 260.20198 170.8
[M+Na-2H]- 282.18393 172.3
[M]+ 261.20871 168.7
[M]- 261.20981 168.7
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

No patent data available for this compound.