CID 3401849

Propane-1-sulphonamide

Structural Information

Molecular Formula
C3H9NO2S
SMILES
CCCS(=O)(=O)N
InChI
InChI=1S/C3H9NO2S/c1-2-3-7(4,5)6/h2-3H2,1H3,(H2,4,5,6)
InChIKey
DROIHSMGGKKIJT-UHFFFAOYSA-N
Compound name
propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8316
Patents

123.0354 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.04268 121.5
[M+Na]+ 146.02462 129.8
[M-H]- 122.02812 121.9
[M+NH4]+ 141.06922 143.8
[M+K]+ 161.99856 128.7
[M+H-H2O]+ 106.03266 117.1
[M+HCOO]- 168.03360 140.3
[M+CH3COO]- 182.04925 168.5
[M+Na-2H]- 144.01007 126.2
[M]+ 123.03485 122.7
[M]- 123.03595 122.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe