CID 3065072

106609-32-9

Structural Information

Molecular Formula
C19H29NO
SMILES
CC1=CC(=C(C=C1CN2CCCCC2)C3CCCCC3)O
InChI
InChI=1S/C19H29NO/c1-15-12-19(21)18(16-8-4-2-5-9-16)13-17(15)14-20-10-6-3-7-11-20/h12-13,16,21H,2-11,14H2,1H3
InChIKey
NXKVSFDJBAYCGR-UHFFFAOYSA-N
Compound name
2-cyclohexyl-5-methyl-4-(piperidin-1-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.2249 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.23218 173.0
[M+Na]+ 310.21412 174.8
[M-H]- 286.21762 177.9
[M+NH4]+ 305.25872 185.9
[M+K]+ 326.18806 169.8
[M+H-H2O]+ 270.22216 163.4
[M+HCOO]- 332.22310 185.7
[M+CH3COO]- 346.23875 181.1
[M+Na-2H]- 308.19957 172.0
[M]+ 287.22435 163.7
[M]- 287.22545 163.7
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.