CID 12853062

As-triazine, 5-tert-butyl-3-methoxy-

Structural Information

Molecular Formula
C8H13N3O
SMILES
CC(C)(C)C1=CN=NC(=N1)OC
InChI
InChI=1S/C8H13N3O/c1-8(2,3)6-5-9-11-7(10-6)12-4/h5H,1-4H3
InChIKey
QIWFSCBVELQMSW-UHFFFAOYSA-N
Compound name
5-tert-butyl-3-methoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

167.10587 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 137.6
[M+Na]+ 190.095088 147.1
[M-H]- 166.098594 137.6
[M+NH4]+ 185.139693 154.7
[M+K]+ 206.069028 145.8
[M+H-H2O]+ 150.103130 130.3
[M+HCOO]- 212.104071 157.2
[M+CH3COO]- 226.119721 179.4
[M+Na-2H]- 188.080536 146.3
[M]+ 167.10532142 140.0
[M]- 167.10641858 140.0
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