CID 65744038

1-hydroxypropane-2-sulfonamide

Structural Information

Molecular Formula
C3H9NO3S
SMILES
CC(CO)S(=O)(=O)N
InChI
InChI=1S/C3H9NO3S/c1-3(2-5)8(4,6)7/h3,5H,2H2,1H3,(H2,4,6,7)
InChIKey
UZVBTOYEOSZCEQ-UHFFFAOYSA-N
Compound name
1-hydroxypropane-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

139.03032 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.037596 125.2
[M+Na]+ 162.019538 132.7
[M-H]- 138.023044 124.1
[M+NH4]+ 157.064143 145.9
[M+K]+ 177.993478 131.5
[M+H-H2O]+ 122.027580 120.8
[M+HCOO]- 184.028521 141.7
[M+CH3COO]- 198.044171 168.9
[M+Na-2H]- 160.004986 128.5
[M]+ 139.02977142 125.3
[M]- 139.03086858 125.3
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