CID 136162606

108030-65-5

Structural Information

Molecular Formula

C₅H₄N₆O₂

SMILES

C1=NC(=C2N1C(=O)NN=N2)C(=O)N

InChI

InChI=1S/C5H4N6O2/c6-3(12)2-4-8-10-9-5(13)11(4)1-7-2/h1H,(H2,6,12)(H,8,9,13)

InChIKey

SWRRSVJSVVRGKD-UHFFFAOYSA-N

Compound name

4-oxo-3H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 180.03957 Da
Monoisotopic Mass: -1.2
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]+	181.04685	132.6
[M+Na]+	203.02879	144.4
[M+NH4]+	198.07339	137.4
[M+K]+	219.00273	143.3
[M-H]-	179.03229	130.2
[M+Na-2H]-	201.01424	137.2
[M]+	180.03902	133.1
[M]-	180.04012	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe