CID 39237442

N-((2s)-2-hydroxypropyl)propane-1-sulfonamide

Structural Information

Molecular Formula
C6H15NO3S
SMILES
CCCS(=O)(=O)NC[C@H](C)O
InChI
InChI=1S/C6H15NO3S/c1-3-4-11(9,10)7-5-6(2)8/h6-8H,3-5H2,1-2H3/t6-/m0/s1
InChIKey
MHCJZWCUSLDAOU-LURJTMIESA-N
Compound name
N-[(2S)-2-hydroxypropyl]propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.07727 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08455 138.2
[M+Na]+ 204.06649 144.4
[M-H]- 180.06999 137.1
[M+NH4]+ 199.11109 157.5
[M+K]+ 220.04043 142.8
[M+H-H2O]+ 164.07453 133.2
[M+HCOO]- 226.07547 154.3
[M+CH3COO]- 240.09112 178.6
[M+Na-2H]- 202.05194 141.1
[M]+ 181.07672 140.4
[M]- 181.07782 140.4
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.