CID 44152471

70942-00-6

Structural Information

Molecular Formula
C7H14N2O8S
SMILES
C(CS(=O)(=O)O)OCN1C(C(N(C1=O)CO)O)O
InChI
InChI=1S/C7H14N2O8S/c10-3-8-5(11)6(12)9(7(8)13)4-17-1-2-18(14,15)16/h5-6,10-12H,1-4H2,(H,14,15,16)
InChIKey
RMAORXQUPGOWHH-UHFFFAOYSA-N
Compound name
2-[[4,5-dihydroxy-3-(hydroxymethyl)-2-oxoimidazolidin-1-yl]methoxy]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0471 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05438 157.3
[M+Na]+ 309.03632 164.5
[M-H]- 285.03982 153.2
[M+NH4]+ 304.08092 169.8
[M+K]+ 325.01026 162.2
[M+H-H2O]+ 269.04436 152.2
[M+HCOO]- 331.04530 166.9
[M+CH3COO]- 345.06095 186.2
[M+Na-2H]- 307.02177 156.9
[M]+ 286.04655 160.4
[M]- 286.04765 160.4
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.