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]+ 260.16451 161.1
[M+Na]+ 282.14645 165.5
[M-H]- 258.14995 164.5
[M+NH4]+ 277.19105 176.4
[M+K]+ 298.12039 160.9
[M+H-H2O]+ 242.15449 152.7
[M+HCOO]- 304.15543 175.0
[M+CH3COO]- 318.17108 170.7
[M+Na-2H]- 280.13190 163.5
[M]+ 259.15668 154.3
[M]- 259.15778 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.