CID 104374

52977-50-1

Structural Information

Molecular Formula
C7H11N3O5
SMILES
CCN1C(=O)N(C(=O)N(C1=O)CO)CO
InChI
InChI=1S/C7H11N3O5/c1-2-8-5(13)9(3-11)7(15)10(4-12)6(8)14/h11-12H,2-4H2,1H3
InChIKey
VDFTZATURBOYAX-UHFFFAOYSA-N
Compound name
1-ethyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

217.06987 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.077146 141.4
[M+Na]+ 240.059088 153.8
[M-H]- 216.062594 139.9
[M+NH4]+ 235.103693 155.5
[M+K]+ 256.033028 150.9
[M+H-H2O]+ 200.067130 134.4
[M+HCOO]- 262.068071 161.0
[M+CH3COO]- 276.083721 183.0
[M+Na-2H]- 238.044536 146.0
[M]+ 217.06932142 145.4
[M]- 217.07041858 145.4
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

patents stripe