CID 22591025

372136-76-0

Structural Information

Molecular Formula

C₄H₁₂N₂O₂S

SMILES

CC(C)N(C)S(=O)(=O)N

InChI

InChI=1S/C4H12N2O2S/c1-4(2)6(3)9(5,7)8/h4H,1-3H3,(H2,5,7,8)

InChIKey

PJNPCKSPJXQBHH-UHFFFAOYSA-N

Compound name

2-[methyl(sulfamoyl)amino]propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 137
Patents: 152.06195 Da
Monoisotopic Mass: -0.4
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]+	153.069226	129.6
[M+Na]+	175.051168	136.4
[M-H]-	151.054674	131.2
[M+NH4]+	170.095773	150.8
[M+K]+	191.025108	136.8
[M+H-H2O]+	135.059210	124.2
[M+HCOO]-	197.060151	148.4
[M+CH3COO]-	211.075801	180.9
[M+Na-2H]-	173.036616	132.5
[M]+	152.06140142	130.9
[M]-	152.06249858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe