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]+ 168.113146 136.1
[M+Na]+ 190.095088 145.7
[M-H]- 166.098594 136.2
[M+NH4]+ 185.139693 153.2
[M+K]+ 206.069028 144.5
[M+H-H2O]+ 150.103130 128.4
[M+HCOO]- 212.104071 156.2
[M+CH3COO]- 226.119721 181.7
[M+Na-2H]- 188.080536 142.3
[M]+ 167.10532142 138.8
[M]- 167.10641858 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