CID 45116671

1,4-dimethyl-1h-imidazol-5-amine

Structural Information

Molecular Formula

C₅H₉N₃

SMILES

CC1=C(N(C=N1)C)N

InChI

InChI=1S/C5H9N3/c1-4-5(6)8(2)3-7-4/h3H,6H2,1-2H3

InChIKey

GHXKHKWEVUKGHR-UHFFFAOYSA-N

Compound name

3,5-dimethylimidazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 111.07965 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]+	112.08693	120.3
[M+Na]+	134.06887	130.4
[M-H]-	110.07237	121.7
[M+NH4]+	129.11347	142.3
[M+K]+	150.04281	129.2
[M+H-H2O]+	94.076910	113.9
[M+HCOO]-	156.07785	144.7
[M+CH3COO]-	170.09350	171.1
[M+Na-2H]-	132.05432	126.2
[M]+	111.07910	119.5
[M]-	111.08020	119.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe