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

55
Patents

139.03032 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03760 125.2
[M+Na]+ 162.01954 132.7
[M-H]- 138.02304 124.1
[M+NH4]+ 157.06414 145.9
[M+K]+ 177.99348 131.5
[M+H-H2O]+ 122.02758 120.8
[M+HCOO]- 184.02852 141.7
[M+CH3COO]- 198.04417 168.9
[M+Na-2H]- 160.00499 128.5
[M]+ 139.02977 125.3
[M]- 139.03087 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