CID 46469

Brn 2133593

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCC(=O)C1=C2C(CCCC2=C(C=C1)OC)N(C)C
InChI
InChI=1S/C16H23NO2/c1-5-14(18)11-9-10-15(19-4)12-7-6-8-13(16(11)12)17(2)3/h9-10,13H,5-8H2,1-4H3
InChIKey
GLYPLLJSSGKHDT-UHFFFAOYSA-N
Compound name
1-[8-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 161.4
[M+Na]+ 284.16210 167.1
[M-H]- 260.16560 166.7
[M+NH4]+ 279.20670 179.9
[M+K]+ 300.13604 165.5
[M+H-H2O]+ 244.17014 154.5
[M+HCOO]- 306.17108 181.7
[M+CH3COO]- 320.18673 206.5
[M+Na-2H]- 282.14755 163.5
[M]+ 261.17233 162.9
[M]- 261.17343 162.9
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.