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 136.1
[M+Na]+ 190.09509 145.7
[M-H]- 166.09859 136.2
[M+NH4]+ 185.13969 153.2
[M+K]+ 206.06903 144.5
[M+H-H2O]+ 150.10313 128.4
[M+HCOO]- 212.10407 156.2
[M+CH3COO]- 226.11972 181.7
[M+Na-2H]- 188.08054 142.3
[M]+ 167.10532 138.8
[M]- 167.10642 138.8
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