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 170.1
[M+Na]+ 312.19342 180.8
[M+NH4]+ 307.23802 178.2
[M+K]+ 328.16736 174.6
[M-H]- 288.19692 173.1
[M+Na-2H]- 310.17887 173.9
[M]+ 289.20365 172.4
[M]- 289.20475 172.4
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.