CID 32639824

6506-30-5

Structural Information

Molecular Formula

C₈H₁₀N₂O₄S

SMILES

COC(=O)CC1=C(SC(=N1)N)C(=O)OC

InChI

InChI=1S/C8H10N2O4S/c1-13-5(11)3-4-6(7(12)14-2)15-8(9)10-4/h3H2,1-2H3,(H2,9,10)

InChIKey

PXALLAPTWSEEKF-UHFFFAOYSA-N

Compound name

methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 230.03613 Da
Monoisotopic Mass: 0.6
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]+	231.043406	148.2
[M+Na]+	253.025348	156.7
[M-H]-	229.028854	150.9
[M+NH4]+	248.069953	166.8
[M+K]+	268.999288	155.6
[M+H-H2O]+	213.033390	141.9
[M+HCOO]-	275.034331	166.8
[M+CH3COO]-	289.049981	188.2
[M+Na-2H]-	251.010796	147.4
[M]+	230.03558142	153.1
[M]-	230.03667858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe