CID 6452248

50729-70-9

Structural Information

Molecular Formula
C10H13N3O3
SMILES
COC1=NC(=NC(=N1)OCC=C)OCC=C
InChI
InChI=1S/C10H13N3O3/c1-4-6-15-9-11-8(14-3)12-10(13-9)16-7-5-2/h4-5H,1-2,6-7H2,3H3
InChIKey
IBAZGKICHYDASM-UHFFFAOYSA-N
Compound name
2-methoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

223.09569 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.102966 148.3
[M+Na]+ 246.084908 157.6
[M-H]- 222.088414 147.8
[M+NH4]+ 241.129513 162.7
[M+K]+ 262.058848 155.2
[M+H-H2O]+ 206.092950 139.7
[M+HCOO]- 268.093891 169.5
[M+CH3COO]- 282.109541 189.2
[M+Na-2H]- 244.070356 154.6
[M]+ 223.09514142 153.7
[M]- 223.09623858 153.7
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.