CID 3057938

74277-10-4

Structural Information

Molecular Formula

C₆H₁₂N₆

SMILES

CC1CC=NN1C(=N)N=C(N)N

InChI

InChI=1S/C6H12N6/c1-4-2-3-10-12(4)6(9)11-5(7)8/h3-4H,2H2,1H3,(H5,7,8,9,11)

InChIKey

UXRYQTWMYQBPJP-UHFFFAOYSA-N

Compound name

N-(diaminomethylidene)-3-methyl-3,4-dihydropyrazole-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.11235 Da
Monoisotopic Mass: -1.4
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]+	169.119626	136.5
[M+Na]+	191.101568	142.3
[M-H]-	167.105074	138.4
[M+NH4]+	186.146173	155.0
[M+K]+	207.075508	141.4
[M+H-H2O]+	151.109610	128.1
[M+HCOO]-	213.110551	161.5
[M+CH3COO]-	227.126201	188.6
[M+Na-2H]-	189.087016	139.9
[M]+	168.11180142	130.0
[M]-	168.11289858	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.