CID 54593170

1-methoxypropane-2-sulfonamide

Structural Information

Molecular Formula

C₄H₁₁NO₃S

SMILES

CC(COC)S(=O)(=O)N

InChI

InChI=1S/C4H11NO3S/c1-4(3-8-2)9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)

InChIKey

HZVYKFOIYCUEGP-UHFFFAOYSA-N

Compound name

1-methoxypropane-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 153.04596 Da
Monoisotopic Mass: -0.8
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]+	154.053236	129.1
[M+Na]+	176.035178	136.6
[M-H]-	152.038684	129.4
[M+NH4]+	171.079783	150.1
[M+K]+	192.009118	136.1
[M+H-H2O]+	136.043220	124.4
[M+HCOO]-	198.044161	146.8
[M+CH3COO]-	212.059811	174.5
[M+Na-2H]-	174.020626	132.5
[M]+	153.04541142	131.5
[M]-	153.04650858	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe