CID 59481378

19276-10-9

Structural Information

Molecular Formula

C₅H₉N₃

SMILES

CC1=NC=C(N1)CN

InChI

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

InChIKey

CVGDNOXAJIGIFQ-UHFFFAOYSA-N

Compound name

(2-methyl-1H-imidazol-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 111.07965 Da
Monoisotopic Mass: -0.6
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	121.1
[M+Na]+	134.06887	129.9
[M-H]-	110.07237	120.7
[M+NH4]+	129.11347	142.1
[M+K]+	150.04281	127.7
[M+H-H2O]+	94.076910	114.6
[M+HCOO]-	156.07785	144.0
[M+CH3COO]-	170.09350	167.3
[M+Na-2H]-	132.05432	127.2
[M]+	111.07910	118.0
[M]-	111.08020	118.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe