CID 64198262

4-methoxybutane-1-sulfonamide

Structural Information

Molecular Formula
C5H13NO3S
SMILES
COCCCCS(=O)(=O)N
InChI
InChI=1S/C5H13NO3S/c1-9-4-2-3-5-10(6,7)8/h2-5H2,1H3,(H2,6,7,8)
InChIKey
RDCXBJGICKBAQR-UHFFFAOYSA-N
Compound name
4-methoxybutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

167.06161 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06889 133.4
[M+Na]+ 190.05083 140.8
[M-H]- 166.05433 133.4
[M+NH4]+ 185.09543 153.9
[M+K]+ 206.02477 139.5
[M+H-H2O]+ 150.05887 128.4
[M+HCOO]- 212.05981 151.9
[M+CH3COO]- 226.07546 176.7
[M+Na-2H]- 188.03628 137.4
[M]+ 167.06106 136.8
[M]- 167.06216 136.8
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