CID 15078

Guanazole

Structural Information

Molecular Formula

C₂H₅N₅

SMILES

C1(=NC(=NN1)N)N

InChI

InChI=1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7)

InChIKey

PKWIYNIDEDLDCJ-UHFFFAOYSA-N

Compound name

1H-1,2,4-triazole-3,5-diamine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 30
References: 7730
Patents: 99.0545 Da
Monoisotopic Mass: -0.7
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]+	100.061776	115.5
[M+Na]+	122.043718	124.8
[M-H]-	98.047224	113.8
[M+NH4]+	117.088323	134.9
[M+K]+	138.017658	122.8
[M+H-H2O]+	82.051760	108.2
[M+HCOO]-	144.052701	138.5
[M+CH3COO]-	158.068351	165.6
[M+Na-2H]-	120.029166	122.5
[M]+	99.05395142	110.2
[M]-	99.05504858	110.2

Literature stripe

literature stripe

Patent stripe

patents stripe