CID 169286

Fluopin c

Structural Information

Molecular Formula

SMILES

CN(C=S)[O-]

InChI

InChI=1S/C2H4NOS/c1-3(4)2-5/h2H,1H3/q-1

InChIKey

VQUFUGOOIORICV-UHFFFAOYSA-N

Compound name

N-methyl-N-oxidomethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 90.00136 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]+	91.008636	114.1
[M+Na]+	112.99058	123.8
[M+NH4]+	108.03518	122.7
[M+K]+	128.96452	118.2
[M-H]-	88.994084	114.3
[M+Na-2H]-	110.97603	117.5
[M]+	90.000811	115.5
[M]-	90.001909	115.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.