CID 56518

3,4-dihydro-7-chloro-2-(piperidinomethyl)-1(2h)-naphthalenone hydrochloride

Structural Information

Molecular Formula
C16H20ClNO
SMILES
C1CCN(CC1)CC2CCC3=C(C2=O)C=C(C=C3)Cl
InChI
InChI=1S/C16H20ClNO/c17-14-7-6-12-4-5-13(16(19)15(12)10-14)11-18-8-2-1-3-9-18/h6-7,10,13H,1-5,8-9,11H2
InChIKey
NOEZHVVINGZRNN-UHFFFAOYSA-N
Compound name
7-chloro-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

277.12335 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.130626 164.7
[M+Na]+ 300.112568 170.4
[M-H]- 276.116074 169.2
[M+NH4]+ 295.157173 180.9
[M+K]+ 316.086508 164.4
[M+H-H2O]+ 260.120610 156.5
[M+HCOO]- 322.121551 175.3
[M+CH3COO]- 336.137201 174.6
[M+Na-2H]- 298.098016 166.8
[M]+ 277.12280142 160.4
[M]- 277.12389858 160.4
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.