CID 13286

839-90-7

Structural Information

Molecular Formula
C9H15N3O6
SMILES
C(CO)N1C(=O)N(C(=O)N(C1=O)CCO)CCO
InChI
InChI=1S/C9H15N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h13-15H,1-6H2
InChIKey
BPXVHIRIPLPOPT-UHFFFAOYSA-N
Compound name
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

46893
Patents

261.0961 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10338 156.8
[M+Na]+ 284.08532 167.3
[M+NH4]+ 279.12992 158.9
[M+K]+ 300.05926 164.9
[M-H]- 260.08882 152.5
[M+Na-2H]- 282.07077 157.7
[M]+ 261.09555 156.4
[M]- 261.09665 156.4
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