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: 151
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]+	126.10258	125.2
[M+Na]+	148.08452	135.9
[M+NH4]+	143.12912	133.4
[M+K]+	164.05846	131.7
[M-H]-	124.08802	126.2
[M+Na-2H]-	146.06997	131.6
[M]+	125.09475	126.7
[M]-	125.09585	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe