CID 46460

64037-86-1

Structural Information

Molecular Formula
C18H27NO2
SMILES
CC(C)CC(=O)C1=C2C(CCCC2=C(C=C1)OC)N(C)C
InChI
InChI=1S/C18H27NO2/c1-12(2)11-16(20)13-9-10-17(21-5)14-7-6-8-15(18(13)14)19(3)4/h9-10,12,15H,6-8,11H2,1-5H3
InChIKey
PLLRUKVYRRQNPL-UHFFFAOYSA-N
Compound name
1-[8-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-methylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.2042 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 170.6
[M+Na]+ 312.19342 175.1
[M-H]- 288.19692 175.6
[M+NH4]+ 307.23802 187.8
[M+K]+ 328.16736 173.7
[M+H-H2O]+ 272.20146 163.5
[M+HCOO]- 334.20240 189.2
[M+CH3COO]- 348.21805 213.4
[M+Na-2H]- 310.17887 170.4
[M]+ 289.20365 172.2
[M]- 289.20475 172.2
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.