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
trans-(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]+ 301.179826 172.2
[M+Na]+ 323.161768 178.6
[M-H]- 299.165274 177.9
[M+NH4]+ 318.206373 191.7
[M+K]+ 339.135708 173.5
[M+H-H2O]+ 283.169810 166.1
[M+HCOO]- 345.170751 189.1
[M+CH3COO]- 359.186401 201.5
[M+Na-2H]- 321.147216 172.2
[M]+ 300.17200142 169.7
[M]- 300.17309858 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