CID 115379

Morph

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₄

SMILES

CC1(CC(=C(C1=O)O)NN2CCOCC2)O

InChI

InChI=1S/C10H16N2O4/c1-10(15)6-7(8(13)9(10)14)11-12-2-4-16-5-3-12/h11,13,15H,2-6H2,1H3

InChIKey

LIHDYIAAKPQZSN-UHFFFAOYSA-N

Compound name

2,5-dihydroxy-5-methyl-3-(morpholin-4-ylamino)cyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 228.11101 Da
Monoisotopic Mass: -0.4
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]+	229.118286	148.4
[M+Na]+	251.100228	154.5
[M-H]-	227.103734	151.7
[M+NH4]+	246.144833	165.8
[M+K]+	267.074168	153.4
[M+H-H2O]+	211.108270	142.5
[M+HCOO]-	273.109211	165.8
[M+CH3COO]-	287.124861	184.8
[M+Na-2H]-	249.085676	152.0
[M]+	228.11046142	144.5
[M]-	228.11155858	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe