CID 10486918

3-hydroxypropane-1-sulfonamide

Structural Information

Molecular Formula
C3H9NO3S
SMILES
C(CO)CS(=O)(=O)N
InChI
InChI=1S/C3H9NO3S/c4-8(6,7)3-1-2-5/h5H,1-3H2,(H2,4,6,7)
InChIKey
MTQKQHPGIPKOEJ-UHFFFAOYSA-N
Compound name
3-hydroxypropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

139.03032 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.037596 125.1
[M+Na]+ 162.019538 132.8
[M-H]- 138.023044 123.9
[M+NH4]+ 157.064143 145.8
[M+K]+ 177.993478 131.1
[M+H-H2O]+ 122.027580 120.6
[M+HCOO]- 184.028521 142.6
[M+CH3COO]- 198.044171 168.0
[M+Na-2H]- 160.004986 129.5
[M]+ 139.02977142 125.8
[M]- 139.03086858 125.8
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