CID 6483896

106891-44-5

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CNCCN1C=CN=C1

InChI

InChI=1S/C6H11N3/c1-7-2-4-9-5-3-8-6-9/h3,5-7H,2,4H2,1H3

InChIKey

UUHRZOGUDROUKQ-UHFFFAOYSA-N

Compound name

2-imidazol-1-yl-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
Patents: 125.0953 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]+	126.102576	124.5
[M+Na]+	148.084518	132.3
[M-H]-	124.088024	125.4
[M+NH4]+	143.129123	145.6
[M+K]+	164.058458	131.3
[M+H-H2O]+	108.092560	117.2
[M+HCOO]-	170.093501	149.2
[M+CH3COO]-	184.109151	172.6
[M+Na-2H]-	146.069966	132.4
[M]+	125.09475142	124.3
[M]-	125.09584858	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe