CID 46458

Brn 2736585

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC(C)C(=O)C1=C2C(CCCC2=C(C=C1)OC)N(C)C
InChI
InChI=1S/C17H25NO2/c1-11(2)17(19)13-9-10-15(20-5)12-7-6-8-14(16(12)13)18(3)4/h9-11,14H,6-8H2,1-5H3
InChIKey
XOGQBVILQAELNP-UHFFFAOYSA-N
Compound name
1-[8-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 165.9
[M+Na]+ 298.17776 170.8
[M-H]- 274.18126 171.0
[M+NH4]+ 293.22236 183.7
[M+K]+ 314.15170 169.6
[M+H-H2O]+ 258.18580 159.0
[M+HCOO]- 320.18674 184.8
[M+CH3COO]- 334.20239 210.4
[M+Na-2H]- 296.16321 166.2
[M]+ 275.18799 167.1
[M]- 275.18909 167.1
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.