CID 206795

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

Structural Information

Molecular Formula
C6H9N3O
SMILES
CC1=C(N=NC(=N1)OC)C
InChI
InChI=1S/C6H9N3O/c1-4-5(2)8-9-6(7-4)10-3/h1-3H3
InChIKey
LGFHMAHXLFPNMS-UHFFFAOYSA-N
Compound name
3-methoxy-5,6-dimethyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

139.07455 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 127.0
[M+Na]+ 162.063768 137.8
[M-H]- 138.067274 127.3
[M+NH4]+ 157.108373 145.3
[M+K]+ 178.037708 136.6
[M+H-H2O]+ 122.071810 119.6
[M+HCOO]- 184.072751 148.8
[M+CH3COO]- 198.088401 174.8
[M+Na-2H]- 160.049216 135.5
[M]+ 139.07400142 129.6
[M]- 139.07509858 129.6
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

patents stripe