CID 3614

1-methylhistamine

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CN1C=C(N=C1)CCN

InChI

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

InChIKey

FHQDWPCFSJMNCT-UHFFFAOYSA-N

Compound name

2-(1-methylimidazol-4-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 191
References: 2150
Patents: 125.0953 Da
Monoisotopic Mass: -0.6
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	125.0
[M+Na]+	148.08452	135.8
[M+NH4]+	143.12912	133.0
[M+K]+	164.05846	132.1
[M-H]-	124.08802	125.9
[M+Na-2H]-	146.06997	130.7
[M]+	125.09475	126.5
[M]-	125.09585	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe