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: 9
Patents: 184.09602 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	185.103296	140.6
[M+Na]+	207.085238	151.5
[M-H]-	183.088744	139.8
[M+NH4]+	202.129843	156.1
[M+K]+	223.059178	148.4
[M+H-H2O]+	167.093280	133.9
[M+HCOO]-	229.094221	159.9
[M+CH3COO]-	243.109871	181.0
[M+Na-2H]-	205.070686	147.1
[M]+	184.09547142	139.7
[M]-	184.09656858	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe