CID 2758725

Dithiobiuret

Structural Information

Molecular Formula

C₂H₅N₃S₂

SMILES

C(=S)(N)NC(=S)N

InChI

InChI=1S/C2H5N3S2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)

InChIKey

JIRRNZWTWJGJCT-UHFFFAOYSA-N

Compound name

carbamothioylthiourea

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 33
References: 797
Patents: 134.9925 Da
Monoisotopic Mass: -0.6
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]+	135.99978	123.1
[M+Na]+	157.98172	129.1
[M-H]-	133.98522	122.1
[M+NH4]+	153.02632	143.3
[M+K]+	173.95566	125.2
[M+H-H2O]+	117.98976	117.0
[M+HCOO]-	179.99070	135.7
[M+CH3COO]-	194.00635	175.9
[M+Na-2H]-	155.96717	122.9
[M]+	134.99195	118.0
[M]-	134.99305	118.0

Literature stripe

literature stripe

Patent stripe

patents stripe