CID 24271868

3-hydroxy-s-(thiophen-2-yl)propane-1-sulfonamido

Structural Information

Molecular Formula
C7H11NO3S2
SMILES
C1=CSC(=C1)S(=O)(=O)NCCCO
InChI
InChI=1S/C7H11NO3S2/c9-5-2-4-8-13(10,11)7-3-1-6-12-7/h1,3,6,8-9H,2,4-5H2
InChIKey
JBZAKIBKZYCGMZ-UHFFFAOYSA-N
Compound name
N-(3-hydroxypropyl)thiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.01804 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.02532 147.3
[M+Na]+ 244.00726 154.5
[M+NH4]+ 239.05186 154.4
[M+K]+ 259.98120 148.4
[M-H]- 220.01076 147.1
[M+Na-2H]- 241.99271 149.8
[M]+ 221.01749 148.9
[M]- 221.01859 148.9
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.