CID 243963

2,4-dimethoxy-1,3,5-triazine

Structural Information

Molecular Formula
C5H7N3O2
SMILES
COC1=NC(=NC=N1)OC
InChI
InChI=1S/C5H7N3O2/c1-9-4-6-3-7-5(8-4)10-2/h3H,1-2H3
InChIKey
RIRBAVAYPRSMRH-UHFFFAOYSA-N
Compound name
2,4-dimethoxy-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

863
Patents

141.05383 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.061106 125.4
[M+Na]+ 164.043048 135.5
[M-H]- 140.046554 125.5
[M+NH4]+ 159.087653 143.2
[M+K]+ 180.016988 135.1
[M+H-H2O]+ 124.051090 117.7
[M+HCOO]- 186.052031 147.8
[M+CH3COO]- 200.067681 172.7
[M+Na-2H]- 162.028496 135.1
[M]+ 141.05328142 128.6
[M]- 141.05437858 128.6
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