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]+ 274.180156 166.4
[M+Na]+ 296.162098 170.2
[M-H]- 272.165604 169.7
[M+NH4]+ 291.206703 182.8
[M+K]+ 312.136038 166.1
[M+H-H2O]+ 256.170140 158.1
[M+HCOO]- 318.171081 178.9
[M+CH3COO]- 332.186731 196.6
[M+Na-2H]- 294.147546 168.8
[M]+ 273.17233142 159.2
[M]- 273.17342858 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.