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]+ 278.13063 164.7
[M+Na]+ 300.11257 170.4
[M-H]- 276.11607 169.2
[M+NH4]+ 295.15717 180.9
[M+K]+ 316.08651 164.4
[M+H-H2O]+ 260.12061 156.5
[M+HCOO]- 322.12155 175.3
[M+CH3COO]- 336.13720 174.6
[M+Na-2H]- 298.09802 166.8
[M]+ 277.12280 160.4
[M]- 277.12390 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.