CID 25220423

733754-08-0

Structural Information

Molecular Formula

C₇H₁₀N₂O₃S

SMILES

COCC1=C(SC(=N1)N)C(=O)OC

InChI

InChI=1S/C7H10N2O3S/c1-11-3-4-5(6(10)12-2)13-7(8)9-4/h3H2,1-2H3,(H2,8,9)

InChIKey

HTAWCRCSPPWHCL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 202.04121 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]+	203.048486	141.1
[M+Na]+	225.030428	150.2
[M-H]-	201.033934	143.8
[M+NH4]+	220.075033	161.0
[M+K]+	241.004368	148.8
[M+H-H2O]+	185.038470	134.9
[M+HCOO]-	247.039411	160.6
[M+CH3COO]-	261.055061	183.7
[M+Na-2H]-	223.015876	141.6
[M]+	202.04066142	145.5
[M]-	202.04175858	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe