CID 6401017

64485-82-1

Structural Information

Molecular Formula

C₇H₉N₃O₃S

SMILES

CCOC(=O)/C(=N/O)/C1=CSC(=N1)N

InChI

InChI=1S/C7H9N3O3S/c1-2-13-6(11)5(10-12)4-3-14-7(8)9-4/h3,12H,2H2,1H3,(H2,8,9)/b10-5+

InChIKey

BTEPYCPXBCCSDL-BJMVGYQFSA-N

Compound name

ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 322
Patents: 215.03647 Da
Monoisotopic Mass: 1.8
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]+	216.04375	144.7
[M+Na]+	238.02569	152.0
[M-H]-	214.02919	147.1
[M+NH4]+	233.07029	163.3
[M+K]+	253.99963	150.5
[M+H-H2O]+	198.03373	137.8
[M+HCOO]-	260.03467	164.3
[M+CH3COO]-	274.05032	187.0
[M+Na-2H]-	236.01114	145.4
[M]+	215.03592	146.5
[M]-	215.03702	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe