CID 218068

N-(1,3-dihydroxypropan-2-yl)-1-iodomethanesulfonamide

Structural Information

Molecular Formula
C4H10INO4S
SMILES
C(C(CO)NS(=O)(=O)CI)O
InChI
InChI=1S/C4H10INO4S/c5-3-11(9,10)6-4(1-7)2-8/h4,6-8H,1-3H2
InChIKey
PMJNSIRQWKRPDY-UHFFFAOYSA-N
Compound name
N-(1,3-dihydroxypropan-2-yl)-1-iodomethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.93753 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.94481 156.0
[M+Na]+ 317.92675 154.9
[M-H]- 293.93025 147.0
[M+NH4]+ 312.97135 169.1
[M+K]+ 333.90069 158.8
[M+H-H2O]+ 277.93479 147.2
[M+HCOO]- 339.93573 166.2
[M+CH3COO]- 353.95138 184.0
[M+Na-2H]- 315.91220 146.1
[M]+ 294.93698 154.2
[M]- 294.93808 154.2
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

No patent data available for this compound.