CID 25120

6,7-dimethyl-2-piperidinomethyl-1-tetralone hydrochloride

Structural Information

Molecular Formula
C18H25NO
SMILES
CC1=CC2=C(C=C1C)C(=O)C(CC2)CN3CCCCC3
InChI
InChI=1S/C18H25NO/c1-13-10-15-6-7-16(12-19-8-4-3-5-9-19)18(20)17(15)11-14(13)2/h10-11,16H,3-9,12H2,1-2H3
InChIKey
LLKZGKJKZQHRKN-UHFFFAOYSA-N
Compound name
6,7-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

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.200876 166.7
[M+Na]+ 294.182818 171.7
[M-H]- 270.186324 171.5
[M+NH4]+ 289.227423 182.7
[M+K]+ 310.156758 166.9
[M+H-H2O]+ 254.190860 158.0
[M+HCOO]- 316.191801 181.2
[M+CH3COO]- 330.207451 201.9
[M+Na-2H]- 292.168266 167.6
[M]+ 271.19305142 161.3
[M]- 271.19414858 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.