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]+ 260.20088 163.9
[M+Na]+ 282.18282 166.7
[M-H]- 258.18632 169.4
[M+NH4]+ 277.22742 179.7
[M+K]+ 298.15676 162.0
[M+H-H2O]+ 242.19086 155.2
[M+HCOO]- 304.19180 179.6
[M+CH3COO]- 318.20745 173.4
[M+Na-2H]- 280.16827 163.0
[M]+ 259.19305 155.8
[M]- 259.19415 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.