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
2
Annotation Hits

0
References

14
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 174.9
[M+Na]+ 335.16177 181.6
[M-H]- 311.16527 181.8
[M+NH4]+ 330.20637 194.5
[M+K]+ 351.13571 176.5
[M+H-H2O]+ 295.16981 168.3
[M+HCOO]- 357.17075 193.2
[M+CH3COO]- 371.18640 206.2
[M+Na-2H]- 333.14722 174.8
[M]+ 312.17200 173.8
[M]- 312.17310 173.8
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