CID 218082

Brn 1476383

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC(=O)C1(CCN(CC1)C2CCC3=CC=CC=C3C2)O
InChI
InChI=1S/C17H23NO2/c1-13(19)17(20)8-10-18(11-9-17)16-7-6-14-4-2-3-5-15(14)12-16/h2-5,16,20H,6-12H2,1H3
InChIKey
GVYBLNPJGJCBIX-UHFFFAOYSA-N
Compound name
1-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 166.4
[M+Na]+ 296.16210 170.2
[M-H]- 272.16560 169.7
[M+NH4]+ 291.20670 182.8
[M+K]+ 312.13604 166.1
[M+H-H2O]+ 256.17014 158.1
[M+HCOO]- 318.17108 178.9
[M+CH3COO]- 332.18673 196.6
[M+Na-2H]- 294.14755 168.8
[M]+ 273.17233 159.2
[M]- 273.17343 159.2
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.