CID 12853062

5-tert-butyl-3-methoxy-as-triazine

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

4
Patents

167.10587 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 137.6
[M+Na]+ 190.09509 147.1
[M-H]- 166.09859 137.6
[M+NH4]+ 185.13969 154.7
[M+K]+ 206.06903 145.8
[M+H-H2O]+ 150.10313 130.3
[M+HCOO]- 212.10407 157.2
[M+CH3COO]- 226.11972 179.4
[M+Na-2H]- 188.08054 146.3
[M]+ 167.10532 140.0
[M]- 167.10642 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