CID 3058057

As-triazine, 5,6-dimethyl-3-ethoxy-

Structural Information

Molecular Formula
C7H11N3O
SMILES
CCOC1=NC(=C(N=N1)C)C
InChI
InChI=1S/C7H11N3O/c1-4-11-7-8-5(2)6(3)9-10-7/h4H2,1-3H3
InChIKey
FAHSHESULNYEEV-UHFFFAOYSA-N
Compound name
3-ethoxy-5,6-dimethyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09021 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.097486 131.6
[M+Na]+ 176.079428 141.9
[M-H]- 152.082934 131.7
[M+NH4]+ 171.124033 149.3
[M+K]+ 192.053368 140.5
[M+H-H2O]+ 136.087470 124.0
[M+HCOO]- 198.088411 153.1
[M+CH3COO]- 212.104061 177.8
[M+Na-2H]- 174.064876 139.5
[M]+ 153.08966142 134.5
[M]- 153.09075858 134.5
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.