CID 2764112

99967-78-9

Structural Information

Molecular Formula

C₉H₁₃N₃O₃S

SMILES

COC(=O)C1=C(N=C(S1)N2CCOCC2)N

InChI

InChI=1S/C9H13N3O3S/c1-14-8(13)6-7(10)11-9(16-6)12-2-4-15-5-3-12/h2-5,10H2,1H3

InChIKey

XRMLHYZIBUGVNR-UHFFFAOYSA-N

Compound name

methyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 243.06776 Da
Monoisotopic Mass: 1.4
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]+	244.075036	152.1
[M+Na]+	266.056978	159.1
[M-H]-	242.060484	156.5
[M+NH4]+	261.101583	167.3
[M+K]+	282.030918	158.1
[M+H-H2O]+	226.065020	144.7
[M+HCOO]-	288.065961	166.4
[M+CH3COO]-	302.081611	189.3
[M+Na-2H]-	264.042426	152.1
[M]+	243.06721142	151.9
[M]-	243.06830858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe