CID 10798

534-26-9

Structural Information

Molecular Formula

C₄H₈N₂

SMILES

CC1=NCCN1

InChI

InChI=1S/C4H8N2/c1-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6)

InChIKey

VWSLLSXLURJCDF-UHFFFAOYSA-N

Compound name

2-methyl-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 25
References: 13866
Patents: 84.06875 Da
Monoisotopic Mass: 0.5
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]+	85.076026	114.8
[M+Na]+	107.05797	122.8
[M-H]-	83.061474	114.2
[M+NH4]+	102.10257	137.0
[M+K]+	123.03191	121.8
[M+H-H2O]+	67.066010	108.5
[M+HCOO]-	129.06695	136.1
[M+CH3COO]-	143.08260	159.5
[M+Na-2H]-	105.04342	121.7
[M]+	84.068201	111.2
[M]-	84.069299	111.2

Literature stripe

literature stripe

Patent stripe

patents stripe