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]+ 276.195816 165.9
[M+Na]+ 298.177758 170.8
[M-H]- 274.181264 171.0
[M+NH4]+ 293.222363 183.7
[M+K]+ 314.151698 169.6
[M+H-H2O]+ 258.185800 159.0
[M+HCOO]- 320.186741 184.8
[M+CH3COO]- 334.202391 210.4
[M+Na-2H]- 296.163206 166.2
[M]+ 275.18799142 167.1
[M]- 275.18908858 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.