CID 517708

2,3-diaminopropane-1-thiol dihydrobromide

Structural Information

Molecular Formula

C₃H₁₀N₂S

SMILES

C(C(CS)N)N

InChI

InChI=1S/C3H10N2S/c4-1-3(5)2-6/h3,6H,1-2,4-5H2

InChIKey

KFCAJDUOSGKVSB-UHFFFAOYSA-N

Compound name

2,3-diaminopropane-1-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 106.05647 Da
Monoisotopic Mass: -1.3
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]+	107.06375	119.5
[M+Na]+	129.04569	127.4
[M+NH4]+	124.09029	128.2
[M+K]+	145.01963	121.4
[M-H]-	105.04919	120.3
[M+Na-2H]-	127.03114	122.6
[M]+	106.05592	121.0
[M]-	106.05702	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe