CID 12412513

1225190-03-3

Structural Information

Molecular Formula

C₃H₁₁N₃O₂S

SMILES

C(CN)CNS(=O)(=O)N

InChI

InChI=1S/C3H11N3O2S/c4-2-1-3-6-9(5,7)8/h6H,1-4H2,(H2,5,7,8)

InChIKey

JYXALWFVSLSLIR-UHFFFAOYSA-N

Compound name

1-amino-3-(sulfamoylamino)propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 153.0572 Da
Monoisotopic Mass: -1.9
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]+	154.06448	129.7
[M+Na]+	176.04642	135.4
[M+NH4]+	171.09102	135.9
[M+K]+	192.02036	131.0
[M-H]-	152.04992	128.6
[M+Na-2H]-	174.03187	131.4
[M]+	153.05665	130.0
[M]-	153.05775	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe