CID 45883

Brn 2137292

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCCC(=O)C1=C2C(CCCC2=C(C=C1)OC)N(C)C
InChI
InChI=1S/C17H25NO2/c1-5-7-15(19)12-10-11-16(20-4)13-8-6-9-14(17(12)13)18(2)3/h10-11,14H,5-9H2,1-4H3
InChIKey
DCZIAQLRTLSMTE-UHFFFAOYSA-N
Compound name
1-[8-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 166.2
[M+Na]+ 298.177758 171.4
[M-H]- 274.181264 171.2
[M+NH4]+ 293.222363 184.0
[M+K]+ 314.151698 169.6
[M+H-H2O]+ 258.185800 159.0
[M+HCOO]- 320.186741 186.0
[M+CH3COO]- 334.202391 209.4
[M+Na-2H]- 296.163206 167.6
[M]+ 275.18799142 168.0
[M]- 275.18908858 168.0
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.