CID 6599

Dimethyldithiocarbamic acid

Structural Information

Molecular Formula

SMILES

CN(C)C(=S)S

InChI

InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)

InChIKey

MZGNSEAPZQGJRB-UHFFFAOYSA-N

Compound name

dimethylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 267
References: 75709
Patents: 121.00199 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]+	122.009266	119.7
[M+Na]+	143.991208	127.3
[M-H]-	119.994714	121.8
[M+NH4]+	139.035813	142.9
[M+K]+	159.965148	126.2
[M+H-H2O]+	103.999250	114.5
[M+HCOO]-	166.000191	133.0
[M+CH3COO]-	180.015841	174.7
[M+Na-2H]-	141.976656	120.5
[M]+	121.00144142	121.4
[M]-	121.00253858	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe