CID 22395241

119154-86-8

Structural Information

Molecular Formula

C₆H₇N₃O₂S

SMILES

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

InChI

InChI=1S/C6H7N3O2S/c1-11-9-4(2-10)5-3-12-6(7)8-5/h2-3H,1H3,(H2,7,8)/b9-4+

InChIKey

LRGBSHQFAZWNDF-RUDMXATFSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 185.0259 Da
Monoisotopic Mass: 0.9
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]+	186.03318	138.3
[M+Na]+	208.01512	146.7
[M+NH4]+	203.05972	145.4
[M+K]+	223.98906	142.4
[M-H]-	184.01862	139.3
[M+Na-2H]-	206.00057	142.2
[M]+	185.02535	139.8
[M]-	185.02645	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe