CID 3053030

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

Structural Information

Molecular Formula
C8H13N3O
SMILES
CC1=C(N=NC(=N1)OC(C)C)C
InChI
InChI=1S/C8H13N3O/c1-5(2)12-8-9-6(3)7(4)10-11-8/h5H,1-4H3
InChIKey
GGDFRBSJVQPWHX-UHFFFAOYSA-N
Compound name
5,6-dimethyl-3-propan-2-yloxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

167.10587 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 136.2
[M+Na]+ 190.09509 149.6
[M+NH4]+ 185.13969 143.4
[M+K]+ 206.06903 144.2
[M-H]- 166.09859 136.4
[M+Na-2H]- 188.08054 142.5
[M]+ 167.10532 138.1
[M]- 167.10642 138.1
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