CID 20261595

97928-18-2

Structural Information

Molecular Formula
C19H29NO2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)O
InChI
InChI=1S/C19H29NO2/c1-19(2,3)16-8-6-15(7-9-16)18(22)5-4-12-20-13-10-17(21)11-14-20/h6-9,17,21H,4-5,10-14H2,1-3H3
InChIKey
HUFTWIJFTZKVMR-UHFFFAOYSA-N
Compound name
1-(4-tert-butylphenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

303.21982 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.227096 176.7
[M+Na]+ 326.209038 179.9
[M-H]- 302.212544 179.3
[M+NH4]+ 321.253643 189.5
[M+K]+ 342.182978 176.0
[M+H-H2O]+ 286.217080 168.7
[M+HCOO]- 348.218021 190.3
[M+CH3COO]- 362.233671 204.2
[M+Na-2H]- 324.194486 176.9
[M]+ 303.21927142 173.7
[M]- 303.22036858 173.7
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

patents stripe