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

1674
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

literature stripe

Patent stripe

patents stripe