CID 15798

Tris(carbamoylmethyl) isocyanurate

Structural Information

Molecular Formula
C9H12N6O6
SMILES
C(C(=O)N)N1C(=O)N(C(=O)N(C1=O)CC(=O)N)CC(=O)N
InChI
InChI=1S/C9H12N6O6/c10-4(16)1-13-7(19)14(2-5(11)17)9(21)15(8(13)20)3-6(12)18/h1-3H2,(H2,10,16)(H2,11,17)(H2,12,18)
InChIKey
UIOBQQOHDVSKIH-UHFFFAOYSA-N
Compound name
2-[3,5-bis(2-amino-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.08182 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08910 160.8
[M+Na]+ 323.07104 170.2
[M-H]- 299.07454 160.9
[M+NH4]+ 318.11564 170.4
[M+K]+ 339.04498 168.4
[M+H-H2O]+ 283.07908 152.3
[M+HCOO]- 345.08002 181.9
[M+CH3COO]- 359.09567 211.7
[M+Na-2H]- 321.05649 160.5
[M]+ 300.08127 161.3
[M]- 300.08237 161.3
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.