CID 70496074

Dtxsid801163455

Structural Information

Molecular Formula
C19H24O3
SMILES
C[C@]1([C@H](CCC1=O)O)CC=C2CCCC3=C2C=CC(=C3)OC
InChI
InChI=1S/C19H24O3/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/h6-7,10,12,17,20H,3-5,8-9,11H2,1-2H3/t17-,19+/m0/s1
InChIKey
IDICKGLOPKUVSX-PKOBYXMFSA-N
Compound name
(2R,3S)-3-hydroxy-2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-methylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

300.17255 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17983 172.2
[M+Na]+ 323.16177 178.6
[M-H]- 299.16527 177.9
[M+NH4]+ 318.20637 191.7
[M+K]+ 339.13571 173.5
[M+H-H2O]+ 283.16981 166.1
[M+HCOO]- 345.17075 189.1
[M+CH3COO]- 359.18640 201.5
[M+Na-2H]- 321.14722 172.2
[M]+ 300.17200 169.7
[M]- 300.17310 169.7
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