CID 604515

2-[2-(6-methoxy-3,4-dihydro-2h-naphthalen-1-ylidene)ethyl]-2-methylcyclopentane-1,3-dione

Structural Information

Molecular Formula
C19H22O3
SMILES
CC1(C(=O)CCC1=O)CC=C2CCCC3=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
InChIKey
PHYRXYUDHILFBN-UHFFFAOYSA-N
Compound name
2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-methylcyclopentane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
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

No literature data available for this compound.

Patent stripe

patents stripe