CID 6507150

Du pont 1642

Structural Information

Molecular Formula

C₄H₈N₂O₂S

SMILES

C/C(=N/OC(=O)N)/SC

InChI

InChI=1S/C4H8N2O2S/c1-3(9-2)6-8-4(5)7/h1-2H3,(H2,5,7)/b6-3-

InChIKey

VCFUBFMWDABVJZ-UTCJRWHESA-N

Compound name

methyl (1Z)-N-carbamoyloxyethanimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 148.03065 Da
Monoisotopic Mass: 0.2
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]+	149.037926	129.4
[M+Na]+	171.019868	136.1
[M-H]-	147.023374	130.9
[M+NH4]+	166.064473	150.9
[M+K]+	186.993808	136.1
[M+H-H2O]+	131.027910	123.5
[M+HCOO]-	193.028851	149.7
[M+CH3COO]-	207.044501	178.4
[M+Na-2H]-	169.005316	131.5
[M]+	148.03010142	131.0
[M]-	148.03119858	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe