CID 3017916

69251-28-1

Structural Information

Molecular Formula
C17H24O2
SMILES
CC(=O)C1=CC2=C(C=C1OC)C(CCC2(C)C)(C)C
InChI
InChI=1S/C17H24O2/c1-11(18)12-9-13-14(10-15(12)19-6)17(4,5)8-7-16(13,2)3/h9-10H,7-8H2,1-6H3
InChIKey
BKNUXXFUQHTKHP-UHFFFAOYSA-N
Compound name
1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

260.17764 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18492 158.0
[M+Na]+ 283.16686 167.0
[M-H]- 259.17036 163.0
[M+NH4]+ 278.21146 180.8
[M+K]+ 299.14080 164.5
[M+H-H2O]+ 243.17490 153.2
[M+HCOO]- 305.17584 176.4
[M+CH3COO]- 319.19149 201.5
[M+Na-2H]- 281.15231 161.9
[M]+ 260.17709 160.5
[M]- 260.17819 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe