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: 129
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]+	214.107386	144.8
[M+Na]+	236.089328	151.9
[M-H]-	212.092834	148.2
[M+NH4]+	231.133933	163.2
[M+K]+	252.063268	150.8
[M+H-H2O]+	196.097370	139.5
[M+HCOO]-	258.098311	161.2
[M+CH3COO]-	272.113961	179.5
[M+Na-2H]-	234.074776	147.8
[M]+	213.09956142	141.6
[M]-	213.10065858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe