CID 200659

2453-35-2

Structural Information

Molecular Formula

C₆H₁₆N₂S₂

SMILES

CC(CSSCC(C)N)N

InChI

InChI=1S/C6H16N2S2/c1-5(7)3-9-10-4-6(2)8/h5-6H,3-4,7-8H2,1-2H3

InChIKey

FVMYCGRNEHXKCC-UHFFFAOYSA-N

Compound name

1-(2-aminopropyldisulfanyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 180.07549 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]+	181.08277	137.3
[M+Na]+	203.06471	141.8
[M-H]-	179.06821	135.7
[M+NH4]+	198.10931	156.4
[M+K]+	219.03865	138.5
[M+H-H2O]+	163.07275	131.0
[M+HCOO]-	225.07369	147.6
[M+CH3COO]-	239.08934	185.9
[M+Na-2H]-	201.05016	134.9
[M]+	180.07494	136.1
[M]-	180.07604	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe