CID 704317

16781-67-2

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

C1COCCN1C2=NC(=O)CS2

InChI

InChI=1S/C7H10N2O2S/c10-6-5-12-7(8-6)9-1-3-11-4-2-9/h1-5H2

InChIKey

HKPOETYJKCUXBF-UHFFFAOYSA-N

Compound name

2-morpholin-4-yl-1,3-thiazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 19
Patents: 186.0463 Da
Monoisotopic Mass: 0.0
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]+	187.053576	137.4
[M+Na]+	209.035518	144.9
[M-H]-	185.039024	141.9
[M+NH4]+	204.080123	155.4
[M+K]+	225.009458	144.3
[M+H-H2O]+	169.043560	130.6
[M+HCOO]-	231.044501	151.5
[M+CH3COO]-	245.060151	150.0
[M+Na-2H]-	207.020966	139.2
[M]+	186.04575142	135.6
[M]-	186.04684858	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe