CID 139596448

Dtxsid001029463

Structural Information

Molecular Formula
C19H31NO
SMILES
CC(CC1=CC=C(C=C1)C(C)(C)CO)CN2CCCCC2
InChI
InChI=1S/C19H31NO/c1-16(14-20-11-5-4-6-12-20)13-17-7-9-18(10-8-17)19(2,3)15-21/h7-10,16,21H,4-6,11-15H2,1-3H3
InChIKey
OORJXFNLXOTWLL-UHFFFAOYSA-N
Compound name
2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

289.24057 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.247846 174.8
[M+Na]+ 312.229788 176.7
[M-H]- 288.233294 176.9
[M+NH4]+ 307.274393 188.0
[M+K]+ 328.203728 172.8
[M+H-H2O]+ 272.237830 166.6
[M+HCOO]- 334.238771 187.9
[M+CH3COO]- 348.254421 202.5
[M+Na-2H]- 310.215236 175.6
[M]+ 289.24002142 170.7
[M]- 289.24111858 170.7
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.