CID 201570

Methylene isothiourea dihydrobromide

Structural Information

Molecular Formula

C₃H₈N₄S₂

SMILES

C(SC(=N)N)SC(=N)N

InChI

InChI=1S/C3H8N4S2/c4-2(5)8-1-9-3(6)7/h1H2,(H3,4,5)(H3,6,7)

InChIKey

YEQUTLMSIJSBHR-UHFFFAOYSA-N

Compound name

carbamimidoylsulfanylmethyl carbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 164.01904 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]+	165.02632	129.6
[M+Na]+	187.00826	134.2
[M-H]-	163.01176	128.1
[M+NH4]+	182.05286	148.1
[M+K]+	202.98220	129.9
[M+H-H2O]+	147.01630	122.6
[M+HCOO]-	209.01724	142.7
[M+CH3COO]-	223.03289	184.0
[M+Na-2H]-	184.99371	129.6
[M]+	164.01849	123.9
[M]-	164.01959	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe