CID 43396

7-ethyl-2-piperidinomethyl-1-oxotetrahydronaphthalene hydrochloride

Structural Information

Molecular Formula
C18H25NO
SMILES
CCC1=CC2=C(CCC(C2=O)CN3CCCCC3)C=C1
InChI
InChI=1S/C18H25NO/c1-2-14-6-7-15-8-9-16(18(20)17(15)12-14)13-19-10-4-3-5-11-19/h6-7,12,16H,2-5,8-11,13H2,1H3
InChIKey
PLHZFZMEXKBMBU-UHFFFAOYSA-N
Compound name
7-ethyl-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]+ 272.20088 166.7
[M+Na]+ 294.18282 170.7
[M-H]- 270.18632 171.1
[M+NH4]+ 289.22742 182.3
[M+K]+ 310.15676 165.9
[M+H-H2O]+ 254.19086 157.7
[M+HCOO]- 316.19180 181.2
[M+CH3COO]- 330.20745 200.7
[M+Na-2H]- 292.16827 168.3
[M]+ 271.19305 160.8
[M]- 271.19415 160.8
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

patents stripe