CID 23829

1,2,4-dithiazol-1-ium, 3,5-diamino-, bromide

Structural Information

Molecular Formula

C₂H₃N₃S₂

SMILES

C1(=NC(=N)SS1)N

InChI

InChI=1S/C2H3N3S2/c3-1-5-2(4)7-6-1/h(H3,3,4,5)

InChIKey

QPSYHHIECOGOHR-UHFFFAOYSA-N

Compound name

5-imino-1,2,4-dithiazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 132.97684 Da
Monoisotopic Mass: 0.1
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]+	133.98412	120.8
[M+Na]+	155.96606	129.9
[M+NH4]+	151.01066	129.9
[M+K]+	171.94000	123.3
[M-H]-	131.96956	123.0
[M+Na-2H]-	153.95151	125.3
[M]+	132.97629	123.3
[M]-	132.97739	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe