CID 61404990

5-(piperazine-1-sulfonyl)furan-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H12N2O5S
SMILES
C1CN(CCN1)S(=O)(=O)C2=CC=C(O2)C(=O)O
InChI
InChI=1S/C9H12N2O5S/c12-9(13)7-1-2-8(16-7)17(14,15)11-5-3-10-4-6-11/h1-2,10H,3-6H2,(H,12,13)
InChIKey
XUODYXMSVQBNEB-UHFFFAOYSA-N
Compound name
5-piperazin-1-ylsulfonylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0467 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05398 154.1
[M+Na]+ 283.03592 160.5
[M-H]- 259.03942 156.1
[M+NH4]+ 278.08052 167.2
[M+K]+ 299.00986 158.7
[M+H-H2O]+ 243.04396 147.9
[M+HCOO]- 305.04490 164.3
[M+CH3COO]- 319.06055 182.9
[M+Na-2H]- 281.02137 155.7
[M]+ 260.04615 152.5
[M]- 260.04725 152.5
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.