CID 13607663

Schembl10605013

Structural Information

Molecular Formula
C19H31NO
SMILES
CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCC(CC2)O
InChI
InChI=1S/C19H31NO/c1-15(14-20-11-9-18(21)10-12-20)13-16-5-7-17(8-6-16)19(2,3)4/h5-8,15,18,21H,9-14H2,1-4H3
InChIKey
KOCTYVLMQFEENY-UHFFFAOYSA-N
Compound name
1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3
Patents

289.24057 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.24785 174.7
[M+Na]+ 312.22979 177.7
[M-H]- 288.23329 177.3
[M+NH4]+ 307.27439 188.3
[M+K]+ 328.20373 173.8
[M+H-H2O]+ 272.23783 166.9
[M+HCOO]- 334.23877 187.9
[M+CH3COO]- 348.25442 203.0
[M+Na-2H]- 310.21524 174.8
[M]+ 289.24002 171.0
[M]- 289.24112 171.0
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

patents stripe