CID 22386242

Dtxsid801184267

Structural Information

Molecular Formula

C₁₀H₁₅NO₄

SMILES

CC1(CC(=C(C1=O)O)N2CCOCC2)O

InChI

InChI=1S/C10H15NO4/c1-10(14)6-7(8(12)9(10)13)11-2-4-15-5-3-11/h12,14H,2-6H2,1H3

InChIKey

RQUYIFOAVPVRMZ-UHFFFAOYSA-N

Compound name

2,5-dihydroxy-5-methyl-3-morpholin-4-ylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 213.10011 Da
Monoisotopic Mass: -0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.10739	146.1
[M+Na]+	236.08933	155.5
[M+NH4]+	231.13393	154.0
[M+K]+	252.06327	152.0
[M-H]-	212.09283	147.8
[M+Na-2H]-	234.07478	150.1
[M]+	213.09956	147.7
[M]-	213.10066	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe