CID 3041853

58708-63-7

Structural Information

Molecular Formula

C₄H₁₀N₂OS₂

SMILES

C(C(CNC(=S)S)O)N

InChI

InChI=1S/C4H10N2OS2/c5-1-3(7)2-6-4(8)9/h3,7H,1-2,5H2,(H2,6,8,9)

InChIKey

AHEZFWHPXCMTJQ-UHFFFAOYSA-N

Compound name

(3-amino-2-hydroxypropyl)carbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.02345 Da
Monoisotopic Mass: -0.8
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]+	167.03073	132.7
[M+Na]+	189.01267	138.4
[M+NH4]+	184.05727	140.0
[M+K]+	204.98661	131.8
[M-H]-	165.01617	132.1
[M+Na-2H]-	186.99812	133.4
[M]+	166.02290	133.7
[M]-	166.02400	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.