CID 214668

Sulfamoyl azide, isobutyl-

Structural Information

Molecular Formula

C₄H₁₀N₄O₂S

SMILES

CC(C)CNS(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C4H10N4O2S/c1-4(2)3-6-11(9,10)8-7-5/h4,6H,3H2,1-2H3

InChIKey

RDTPBWLYVCDWQM-UHFFFAOYSA-N

Compound name

1-(azidosulfonylamino)-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 178.05244 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]+	179.05972	131.5
[M+Na]+	201.04166	137.6
[M-H]-	177.04516	134.7
[M+NH4]+	196.08626	151.4
[M+K]+	217.01560	132.5
[M+H-H2O]+	161.04970	129.7
[M+HCOO]-	223.05064	156.0
[M+CH3COO]-	237.06629	182.5
[M+Na-2H]-	199.02711	140.0
[M]+	178.05189	130.5
[M]-	178.05299	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe