CID 40666

53207-41-3

Structural Information

Molecular Formula
C19H31NO
SMILES
CC(C)(CN(C)C)C(C1=CC=C(C=C1)C2CCCCC2)O
InChI
InChI=1S/C19H31NO/c1-19(2,14-20(3)4)18(21)17-12-10-16(11-13-17)15-8-6-5-7-9-15/h10-13,15,18,21H,5-9,14H2,1-4H3
InChIKey
SPYDSHBXCCMSOI-UHFFFAOYSA-N
Compound name
1-(4-cyclohexylphenyl)-3-(dimethylamino)-2,2-dimethylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.24057 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.247846 173.1
[M+Na]+ 312.229788 174.4
[M-H]- 288.233294 178.1
[M+NH4]+ 307.274393 188.0
[M+K]+ 328.203728 172.0
[M+H-H2O]+ 272.237830 165.6
[M+HCOO]- 334.238771 189.2
[M+CH3COO]- 348.254421 208.2
[M+Na-2H]- 310.215236 173.6
[M]+ 289.24002142 169.1
[M]- 289.24111858 169.1
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.