CID 70062

850-92-0

Structural Information

Molecular Formula
C20H24O3
SMILES
CCC1(C(=O)CCC1=O)CC=C2CCCC3=C2C=CC(=C3)OC
InChI
InChI=1S/C20H24O3/c1-3-20(18(21)9-10-19(20)22)12-11-14-5-4-6-15-13-16(23-2)7-8-17(14)15/h7-8,11,13H,3-6,9-10,12H2,1-2H3
InChIKey
OMXFYKCGCDGYNC-UHFFFAOYSA-N
Compound name
2-ethyl-2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]cyclopentane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

312.17255 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17983 176.3
[M+Na]+ 335.16177 187.6
[M+NH4]+ 330.20637 185.7
[M+K]+ 351.13571 179.4
[M-H]- 311.16527 179.6
[M+Na-2H]- 333.14722 181.4
[M]+ 312.17200 178.9
[M]- 312.17310 178.9
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

patents stripe