CID 3065064

O-cresol, 4-cyclohexyl-alpha-(1-pyrrolidinyl)-

Structural Information

Molecular Formula
C17H25NO
SMILES
C1CCC(CC1)C2=CC(=C(C=C2)O)CN3CCCC3
InChI
InChI=1S/C17H25NO/c19-17-9-8-15(14-6-2-1-3-7-14)12-16(17)13-18-10-4-5-11-18/h8-9,12,14,19H,1-7,10-11,13H2
InChIKey
MKXXOEUCQKCJPV-UHFFFAOYSA-N
Compound name
4-cyclohexyl-2-(pyrrolidin-1-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1936 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.200876 163.9
[M+Na]+ 282.182818 166.7
[M-H]- 258.186324 169.4
[M+NH4]+ 277.227423 179.7
[M+K]+ 298.156758 162.0
[M+H-H2O]+ 242.190860 155.2
[M+HCOO]- 304.191801 179.6
[M+CH3COO]- 318.207451 173.4
[M+Na-2H]- 280.168266 163.0
[M]+ 259.19305142 155.8
[M]- 259.19414858 155.8
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.