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]+ 182.084546 138.2
[M+Na]+ 204.066488 144.4
[M-H]- 180.069994 137.1
[M+NH4]+ 199.111093 157.5
[M+K]+ 220.040428 142.8
[M+H-H2O]+ 164.074530 133.2
[M+HCOO]- 226.075471 154.3
[M+CH3COO]- 240.091121 178.6
[M+Na-2H]- 202.051936 141.1
[M]+ 181.07672142 140.4
[M]- 181.07781858 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.