CID 912

673-50-7

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CNCCC1=CN=CN1

InChI

InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)

InChIKey

PHSPJQZRQAJPPF-UHFFFAOYSA-N

Compound name

2-(1H-imidazol-5-yl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 208
References: 33363
Patents: 125.0953 Da
Monoisotopic Mass: -0.2
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	125.5
[M+Na]+	148.08452	135.7
[M+NH4]+	143.12912	133.3
[M+K]+	164.05846	131.8
[M-H]-	124.08802	126.0
[M+Na-2H]-	146.06997	131.3
[M]+	125.09475	126.7
[M]-	125.09585	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe