CID 5375063

Ec 618-321-5

Structural Information

Molecular Formula
C19H22O3
SMILES
CC1(C(=O)CCC1=O)C/C=C/2\CCCC3=C2C=CC(=C3)OC
InChI
InChI=1S/C19H22O3/c1-19(17(20)8-9-18(19)21)11-10-13-4-3-5-14-12-15(22-2)6-7-16(13)14/h6-7,10,12H,3-5,8-9,11H2,1-2H3/b13-10+
InChIKey
PHYRXYUDHILFBN-JLHYYAGUSA-N
Compound name
2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-methylcyclopentane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

298.1569 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16418 170.4
[M+Na]+ 321.14612 177.5
[M-H]- 297.14962 177.5
[M+NH4]+ 316.19072 190.5
[M+K]+ 337.12006 172.6
[M+H-H2O]+ 281.15416 164.0
[M+HCOO]- 343.15510 189.0
[M+CH3COO]- 357.17075 203.2
[M+Na-2H]- 319.13157 170.8
[M]+ 298.15635 168.9
[M]- 298.15745 168.9
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

No patent data available for this compound.