CID 218610

40943-47-3

Structural Information

Molecular Formula
C8H13N3O3
SMILES
CCOC1=NC(=O)N(C(=O)N1)C(C)C
InChI
InChI=1S/C8H13N3O3/c1-4-14-6-9-7(12)11(5(2)3)8(13)10-6/h5H,4H2,1-3H3,(H,9,10,12,13)
InChIKey
VNTDZDJWMPDWKA-UHFFFAOYSA-N
Compound name
6-ethoxy-3-propan-2-yl-1H-1,3,5-triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

199.09569 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10297 140.8
[M+Na]+ 222.08491 151.2
[M-H]- 198.08841 139.9
[M+NH4]+ 217.12951 155.9
[M+K]+ 238.05885 148.9
[M+H-H2O]+ 182.09295 133.4
[M+HCOO]- 244.09389 160.2
[M+CH3COO]- 258.10954 183.0
[M+Na-2H]- 220.07036 145.7
[M]+ 199.09514 143.4
[M]- 199.09624 143.4
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