CID 13419

2,4,6-trimethoxy-1,3,5-triazine

Structural Information

Molecular Formula
C6H9N3O3
SMILES
COC1=NC(=NC(=N1)OC)OC
InChI
InChI=1S/C6H9N3O3/c1-10-4-7-5(11-2)9-6(8-4)12-3/h1-3H3
InChIKey
DFUGJTBMQKRCPI-UHFFFAOYSA-N
Compound name
2,4,6-trimethoxy-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

674
Patents

171.06439 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.071666 132.7
[M+Na]+ 194.053608 143.2
[M-H]- 170.057114 133.0
[M+NH4]+ 189.098213 149.5
[M+K]+ 210.027548 143.1
[M+H-H2O]+ 154.061650 124.9
[M+HCOO]- 216.062591 154.9
[M+CH3COO]- 230.078241 179.0
[M+Na-2H]- 192.039056 141.1
[M]+ 171.06384142 138.1
[M]- 171.06493858 138.1
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