CID 54236205

1509765-41-6

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CC(C1=CN=CN1C)N

InChI

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

InChIKey

ARKPMOZBRKFUHB-UHFFFAOYSA-N

Compound name

1-(3-methylimidazol-4-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 125.0953 Da
Monoisotopic Mass: -0.7
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	125.3
[M+Na]+	148.08452	135.8
[M+NH4]+	143.12912	133.2
[M+K]+	164.05846	132.9
[M-H]-	124.08802	126.0
[M+Na-2H]-	146.06997	130.7
[M]+	125.09475	126.7
[M]-	125.09585	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe