CID 82418967

(1-methyl-4,5-dihydro-1h-imidazol-2-yl)methanamine dihydrochloride

Structural Information

Molecular Formula

C₅H₁₁N₃

SMILES

CN1CCN=C1CN

InChI

InChI=1S/C5H11N3/c1-8-3-2-7-5(8)4-6/h2-4,6H2,1H3

InChIKey

OPNWKBXQNZRYFX-UHFFFAOYSA-N

Compound name

(1-methyl-4,5-dihydroimidazol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 113.0953 Da
Monoisotopic Mass: -1.5
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]+	114.102576	122.4
[M+Na]+	136.084518	130.5
[M-H]-	112.088024	123.0
[M+NH4]+	131.129123	143.9
[M+K]+	152.058458	129.6
[M+H-H2O]+	96.092560	115.6
[M+HCOO]-	158.093501	145.4
[M+CH3COO]-	172.109151	170.3
[M+Na-2H]-	134.069966	127.9
[M]+	113.09475142	119.8
[M]-	113.09584858	119.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.