CID 214663

Sulfamoyl azide, propyl-

Structural Information

Molecular Formula

C₃H₈N₄O₂S

SMILES

CCCNS(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C3H8N4O2S/c1-2-3-5-10(8,9)7-6-4/h5H,2-3H2,1H3

InChIKey

KGRBMIBPWZDRPH-UHFFFAOYSA-N

Compound name

1-(azidosulfonylamino)propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.0368 Da
Monoisotopic Mass: 1.5
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]+	165.04408	126.7
[M+Na]+	187.02602	133.5
[M-H]-	163.02952	130.0
[M+NH4]+	182.07062	147.2
[M+K]+	202.99996	128.2
[M+H-H2O]+	147.03406	125.0
[M+HCOO]-	209.03500	152.6
[M+CH3COO]-	223.05065	178.8
[M+Na-2H]-	185.01147	136.7
[M]+	164.03625	126.0
[M]-	164.03735	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe