CID 40299

52236-30-3

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CC(C)(C)C1=NNC(=O)NC1=O
InChI
InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)
InChIKey
ZARIFGFXSIZTAK-UHFFFAOYSA-N
Compound name
6-tert-butyl-2H-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

7
Patents

169.08513 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 136.4
[M+Na]+ 192.07435 146.8
[M-H]- 168.07785 134.3
[M+NH4]+ 187.11895 152.1
[M+K]+ 208.04829 143.2
[M+H-H2O]+ 152.08239 130.0
[M+HCOO]- 214.08333 153.8
[M+CH3COO]- 228.09898 172.8
[M+Na-2H]- 190.05980 143.8
[M]+ 169.08458 135.0
[M]- 169.08568 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe