CID 22737399

3-methoxypropane-1-sulfonamide

Structural Information

Molecular Formula
C4H11NO3S
SMILES
COCCCS(=O)(=O)N
InChI
InChI=1S/C4H11NO3S/c1-8-3-2-4-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)
InChIKey
WCEYYHIMDPOBRD-UHFFFAOYSA-N
Compound name
3-methoxypropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

153.04596 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.05324 129.0
[M+Na]+ 176.03518 136.8
[M-H]- 152.03868 129.1
[M+NH4]+ 171.07978 150.0
[M+K]+ 192.00912 135.8
[M+H-H2O]+ 136.04322 124.2
[M+HCOO]- 198.04416 147.7
[M+CH3COO]- 212.05981 173.7
[M+Na-2H]- 174.02063 133.4
[M]+ 153.04541 132.0
[M]- 153.04651 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe