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: 0
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]+	149.03793	130.8
[M+Na]+	171.01987	138.1
[M+NH4]+	166.06447	138.0
[M+K]+	186.99381	132.9
[M-H]-	147.02337	130.5
[M+Na-2H]-	169.00532	133.0
[M]+	148.03010	131.7
[M]-	148.03120	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.