CID 96192

1,3,5-triazine, 2,4,6-tris(oxiranylmethoxy)-

Structural Information

Molecular Formula
C12H15N3O6
SMILES
C1C(O1)COC2=NC(=NC(=N2)OCC3CO3)OCC4CO4
InChI
InChI=1S/C12H15N3O6/c1-7(16-1)4-19-10-13-11(20-5-8-2-17-8)15-12(14-10)21-6-9-3-18-9/h7-9H,1-6H2
InChIKey
BLPURQSRCDKZNX-UHFFFAOYSA-N
Compound name
2,4,6-tris(oxiran-2-ylmethoxy)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1680
Patents

297.0961 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10338 203.7
[M+Na]+ 320.08532 208.2
[M-H]- 296.08882 211.1
[M+NH4]+ 315.12992 197.0
[M+K]+ 336.05926 209.8
[M+H-H2O]+ 280.09336 195.2
[M+HCOO]- 342.09430 214.2
[M+CH3COO]- 356.10995 219.0
[M+Na-2H]- 318.07077 202.1
[M]+ 297.09555 212.6
[M]- 297.09665 212.6
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.