CID 493586

1,4-bis(tris(hydroxymethyl)methyl)oxamide

Structural Information

Molecular Formula
C10H20N2O8
SMILES
C(C(CO)(CO)NC(=O)C(=O)NC(CO)(CO)CO)O
InChI
InChI=1S/C10H20N2O8/c13-1-9(2-14,3-15)11-7(19)8(20)12-10(4-16,5-17)6-18/h13-18H,1-6H2,(H,11,19)(H,12,20)
InChIKey
YNOSXWPEHJJEJB-UHFFFAOYSA-N
Compound name
N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

296.12198 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12926 162.2
[M+Na]+ 319.11120 163.3
[M-H]- 295.11470 153.5
[M+NH4]+ 314.15580 172.0
[M+K]+ 335.08514 162.6
[M+H-H2O]+ 279.11924 156.8
[M+HCOO]- 341.12018 174.6
[M+CH3COO]- 355.13583 192.0
[M+Na-2H]- 317.09665 165.1
[M]+ 296.12143 159.3
[M]- 296.12253 159.3
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.