CID 71755703

5-(methanesulfonamidomethyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C7H9NO5S
SMILES
CS(=O)(=O)NCC1=CC=C(O1)C(=O)O
InChI
InChI=1S/C7H9NO5S/c1-14(11,12)8-4-5-2-3-6(13-5)7(9)10/h2-3,8H,4H2,1H3,(H,9,10)
InChIKey
PZAFCXGNXMLRRS-UHFFFAOYSA-N
Compound name
5-(methanesulfonamidomethyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.02014 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.02742 143.2
[M+Na]+ 242.00936 151.4
[M-H]- 218.01286 146.9
[M+NH4]+ 237.05396 161.5
[M+K]+ 257.98330 150.7
[M+H-H2O]+ 202.01740 138.3
[M+HCOO]- 264.01834 161.5
[M+CH3COO]- 278.03399 181.8
[M+Na-2H]- 239.99481 147.2
[M]+ 219.01959 147.4
[M]- 219.02069 147.4
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.