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

5
Patents

139.07455 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 127.0
[M+Na]+ 162.06377 137.8
[M-H]- 138.06727 127.3
[M+NH4]+ 157.10837 145.3
[M+K]+ 178.03771 136.6
[M+H-H2O]+ 122.07181 119.6
[M+HCOO]- 184.07275 148.8
[M+CH3COO]- 198.08840 174.8
[M+Na-2H]- 160.04922 135.5
[M]+ 139.07400 129.6
[M]- 139.07510 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