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

literature stripe

Patent stripe

patents stripe