CID 3579126

4-pyridyldithiocarbamic acid

Structural Information

Molecular Formula

C₆H₆N₂S₂

SMILES

C1=CN=CC=C1NC(=S)S

InChI

InChI=1S/C6H6N2S2/c9-6(10)8-5-1-3-7-4-2-5/h1-4H,(H2,7,8,9,10)

InChIKey

FSUJNLGZJFPIBE-UHFFFAOYSA-N

Compound name

pyridin-4-ylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 169.99724 Da
Monoisotopic Mass: 1.7
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]+	171.004516	129.3
[M+Na]+	192.986458	137.7
[M-H]-	168.989964	131.7
[M+NH4]+	188.031063	148.7
[M+K]+	208.960398	133.4
[M+H-H2O]+	152.994500	123.1
[M+HCOO]-	214.995441	142.4
[M+CH3COO]-	229.011091	177.8
[M+Na-2H]-	190.971906	132.5
[M]+	169.99669142	129.3
[M]-	169.99778858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe