CID 41909

56507-37-0

Structural Information

Molecular Formula
C7H12N4O2
SMILES
CC(C)(C)C1=NNC(=O)N(C1=O)N
InChI
InChI=1S/C7H12N4O2/c1-7(2,3)4-5(12)11(8)6(13)10-9-4/h8H2,1-3H3,(H,10,13)
InChIKey
AHBXXEZLRFCZSF-UHFFFAOYSA-N
Compound name
4-amino-6-tert-butyl-2H-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

8
Patents

184.09602 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.10330 140.6
[M+Na]+ 207.08524 151.5
[M-H]- 183.08874 139.8
[M+NH4]+ 202.12984 156.1
[M+K]+ 223.05918 148.4
[M+H-H2O]+ 167.09328 133.9
[M+HCOO]- 229.09422 159.9
[M+CH3COO]- 243.10987 181.0
[M+Na-2H]- 205.07069 147.1
[M]+ 184.09547 139.7
[M]- 184.09657 139.7
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