CID 207570

Brn 0832110

Structural Information

Molecular Formula
C12H12N2O5
SMILES
C1CN(C(=O)NC1=O)OCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C12H12N2O5/c15-11-3-4-14(12(16)13-11)19-6-8-1-2-9-10(5-8)18-7-17-9/h1-2,5H,3-4,6-7H2,(H,13,15,16)
InChIKey
KENLGTSGGVNTQC-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-ylmethoxy)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.07462 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08190 155.2
[M+Na]+ 287.06384 162.5
[M-H]- 263.06734 159.7
[M+NH4]+ 282.10844 168.0
[M+K]+ 303.03778 161.6
[M+H-H2O]+ 247.07188 147.4
[M+HCOO]- 309.07282 170.3
[M+CH3COO]- 323.08847 190.9
[M+Na-2H]- 285.04929 159.4
[M]+ 264.07407 154.8
[M]- 264.07517 154.8
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.