CID 53757303

2-azidoethanesulfonate

Structural Information

Molecular Formula

C₂H₅N₃O₃S

SMILES

C(CS(=O)(=O)O)N=[N+]=[N-]

InChI

InChI=1S/C2H5N3O3S/c3-5-4-1-2-9(6,7)8/h1-2H2,(H,6,7,8)

InChIKey

DFIUOTYMZBUXCD-UHFFFAOYSA-N

Compound name

2-azidoethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 151.00516 Da
Monoisotopic Mass: 0.0
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]+	152.01244	122.9
[M+Na]+	173.99438	130.5
[M-H]-	149.99788	125.1
[M+NH4]+	169.03898	143.6
[M+K]+	189.96832	125.0
[M+H-H2O]+	134.00242	122.0
[M+HCOO]-	196.00336	147.0
[M+CH3COO]-	210.01901	170.1
[M+Na-2H]-	171.97983	132.7
[M]+	151.00461	122.2
[M]-	151.00571	122.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe