CID 6411353

Einecs 285-832-4

Structural Information

Molecular Formula

C₆H₇N₃O₃S

SMILES

COC(=O)/C(=N\O)/C1=CSC(=N1)N

InChI

InChI=1S/C6H7N3O3S/c1-12-5(10)4(9-11)3-2-13-6(7)8-3/h2,11H,1H3,(H2,7,8)/b9-4-

InChIKey

PLRLPASADYABSQ-WTKPLQERSA-N

Compound name

methyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 201.02081 Da
Monoisotopic Mass: 1.5
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]+	202.02809	141.8
[M+Na]+	224.01003	148.7
[M+NH4]+	219.05463	147.8
[M+K]+	239.98397	146.1
[M-H]-	200.01353	141.4
[M+Na-2H]-	221.99548	144.3
[M]+	201.02026	142.5
[M]-	201.02136	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe