CID 3084535

Thioformin

Structural Information

Molecular Formula

SMILES

CN(C=S)O

InChI

InChI=1S/C2H5NOS/c1-3(4)2-5/h2,4H,1H3

InChIKey

LSLVHNSGLHQBDX-UHFFFAOYSA-N

Compound name

N-hydroxy-N-methylmethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 13
Patents: 91.009186 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]+	92.016462	115.0
[M+Na]+	113.99840	124.6
[M+NH4]+	109.04301	123.9
[M+K]+	129.97234	118.3
[M-H]-	90.001910	115.3
[M+Na-2H]-	111.98385	118.9
[M]+	91.008637	116.7
[M]-	91.009735	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe