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]+ 299.164176 170.4
[M+Na]+ 321.146118 177.5
[M-H]- 297.149624 177.5
[M+NH4]+ 316.190723 190.5
[M+K]+ 337.120058 172.6
[M+H-H2O]+ 281.154160 164.0
[M+HCOO]- 343.155101 189.0
[M+CH3COO]- 357.170751 203.2
[M+Na-2H]- 319.131566 170.8
[M]+ 298.15635142 168.9
[M]- 298.15744858 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

literature stripe

Patent stripe

patents stripe