CID 56794

3,4-dihydro-6-hydroxy-2-(piperidinomethyl)-1(2h)-naphthalenone hydrochloride

Structural Information

Molecular Formula
C16H21NO2
SMILES
C1CCN(CC1)CC2CCC3=C(C2=O)C=CC(=C3)O
InChI
InChI=1S/C16H21NO2/c18-14-6-7-15-12(10-14)4-5-13(16(15)19)11-17-8-2-1-3-9-17/h6-7,10,13,18H,1-5,8-9,11H2
InChIKey
VFDSZWRVXBHOJC-UHFFFAOYSA-N
Compound name
6-hydroxy-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.15723 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.164506 161.1
[M+Na]+ 282.146448 165.5
[M-H]- 258.149954 164.5
[M+NH4]+ 277.191053 176.4
[M+K]+ 298.120388 160.9
[M+H-H2O]+ 242.154490 152.7
[M+HCOO]- 304.155431 175.0
[M+CH3COO]- 318.171081 170.7
[M+Na-2H]- 280.131896 163.5
[M]+ 259.15668142 154.3
[M]- 259.15777858 154.3
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.