CID 24271868

1017464-61-7

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 146.4
[M+Na]+ 244.00726 154.2
[M-H]- 220.01076 148.5
[M+NH4]+ 239.05186 166.0
[M+K]+ 259.98120 149.9
[M+H-H2O]+ 204.01530 141.1
[M+HCOO]- 266.01624 160.2
[M+CH3COO]- 280.03189 181.1
[M+Na-2H]- 241.99271 148.7
[M]+ 221.01749 149.0
[M]- 221.01859 149.0
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.