CID 37463

4-methylhistamine

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CC1=C(N=CN1)CCN

InChI

InChI=1S/C6H11N3/c1-5-6(2-3-7)9-4-8-5/h4H,2-3,7H2,1H3,(H,8,9)

InChIKey

UGYXPZQILZRKJJ-UHFFFAOYSA-N

Compound name

2-(5-methyl-1H-imidazol-4-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 138
References: 529
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	125.3
[M+Na]+	148.08452	135.6
[M+NH4]+	143.12912	133.0
[M+K]+	164.05846	132.2
[M-H]-	124.08802	125.7
[M+Na-2H]-	146.06997	130.4
[M]+	125.09475	126.5
[M]-	125.09585	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe