CID 3053023

As-triazine, 3-(allyloxy)-5,6-dimethyl-

Structural Information

Molecular Formula
C8H11N3O
SMILES
CC1=C(N=NC(=N1)OCC=C)C
InChI
InChI=1S/C8H11N3O/c1-4-5-12-8-9-6(2)7(3)10-11-8/h4H,1,5H2,2-3H3
InChIKey
SEIDDDUUNYDTQC-UHFFFAOYSA-N
Compound name
5,6-dimethyl-3-prop-2-enoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

165.09021 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09749 134.8
[M+Na]+ 188.07943 145.0
[M-H]- 164.08293 134.8
[M+NH4]+ 183.12403 152.0
[M+K]+ 204.05337 142.7
[M+H-H2O]+ 148.08747 127.1
[M+HCOO]- 210.08841 156.2
[M+CH3COO]- 224.10406 180.0
[M+Na-2H]- 186.06488 142.2
[M]+ 165.08966 137.4
[M]- 165.09076 137.4
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