CID 9555417

Sulfamide, bis(1-methyl-2-pyrrolidinylidene)-

Structural Information

Molecular Formula

C₁₀H₁₈N₄O₂S

SMILES

CN1/C(=N/S(=O)(=O)/N=C\2/N(CCC2)C)/CCC1

InChI

InChI=1S/C10H18N4O2S/c1-13-7-3-5-9(13)11-17(15,16)12-10-6-4-8-14(10)2/h3-8H2,1-2H3/b11-9+,12-10+

InChIKey

CAPXLMOTKXUTQY-WGDLNXRISA-N

Compound name

(E)-1-methyl-N-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylpyrrolidin-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.11505 Da
Monoisotopic Mass: -0.3
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]+	259.122326	160.0
[M+Na]+	281.104268	166.9
[M-H]-	257.107774	166.8
[M+NH4]+	276.148873	179.1
[M+K]+	297.078208	165.4
[M+H-H2O]+	241.112310	152.7
[M+HCOO]-	303.113251	178.4
[M+CH3COO]-	317.128901	197.8
[M+Na-2H]-	279.089716	159.7
[M]+	258.11450142	159.6
[M]-	258.11559858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.