CID 56713

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

Structural Information

Molecular Formula
C18H25NO
SMILES
CC1CC(C(=O)C2=C1C=CC(=C2)C)CN3CCCCC3
InChI
InChI=1S/C18H25NO/c1-13-6-7-16-14(2)11-15(18(20)17(16)10-13)12-19-8-4-3-5-9-19/h6-7,10,14-15H,3-5,8-9,11-12H2,1-2H3
InChIKey
FNDKHYMNQIUGME-UHFFFAOYSA-N
Compound name
4,7-dimethyl-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

271.1936 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20088 166.7
[M+Na]+ 294.18282 171.7
[M-H]- 270.18632 171.5
[M+NH4]+ 289.22742 182.7
[M+K]+ 310.15676 166.9
[M+H-H2O]+ 254.19086 158.0
[M+HCOO]- 316.19180 181.2
[M+CH3COO]- 330.20745 201.9
[M+Na-2H]- 292.16827 167.6
[M]+ 271.19305 161.3
[M]- 271.19415 161.3
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.