CID 56644

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

Structural Information

Molecular Formula
C17H23NO
SMILES
CC1=CC2=C(CCC(C2=O)CN3CCCCC3)C=C1
InChI
InChI=1S/C17H23NO/c1-13-5-6-14-7-8-15(17(19)16(14)11-13)12-18-9-3-2-4-10-18/h5-6,11,15H,2-4,7-10,12H2,1H3
InChIKey
CCPDMZIFJGEXSQ-UHFFFAOYSA-N
Compound name
7-methyl-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

257.17798 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18526 162.1
[M+Na]+ 280.16720 166.6
[M-H]- 256.17070 166.8
[M+NH4]+ 275.21180 178.4
[M+K]+ 296.14114 162.1
[M+H-H2O]+ 240.17524 153.4
[M+HCOO]- 302.17618 177.0
[M+CH3COO]- 316.19183 172.1
[M+Na-2H]- 278.15265 164.3
[M]+ 257.17743 156.0
[M]- 257.17853 156.0
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.