CID 47003000

Oxan-2-ylmethanesulfonamide

Structural Information

Molecular Formula

C₆H₁₃NO₃S

SMILES

C1CCOC(C1)CS(=O)(=O)N

InChI

InChI=1S/C6H13NO3S/c7-11(8,9)5-6-3-1-2-4-10-6/h6H,1-5H2,(H2,7,8,9)

InChIKey

RWYAZIMAJKYECI-UHFFFAOYSA-N

Compound name

oxan-2-ylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 179.06161 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]+	180.06889	136.2
[M+Na]+	202.05083	144.4
[M+NH4]+	197.09543	143.7
[M+K]+	218.02477	139.2
[M-H]-	178.05433	138.0
[M+Na-2H]-	200.03628	139.2
[M]+	179.06106	138.0
[M]-	179.06216	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe