CID 134701

84145-87-9

Structural Information

Molecular Formula

C₆H₁₁N₃O

SMILES

CC1=NC=C(N1CCO)N

InChI

InChI=1S/C6H11N3O/c1-5-8-4-6(7)9(5)2-3-10/h4,10H,2-3,7H2,1H3

InChIKey

QIXFXNMDRJRTIJ-UHFFFAOYSA-N

Compound name

2-(5-amino-2-methylimidazol-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 11
Patents: 141.09021 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]+	142.097486	128.6
[M+Na]+	164.079428	137.8
[M-H]-	140.082934	128.4
[M+NH4]+	159.124033	148.6
[M+K]+	180.053368	135.8
[M+H-H2O]+	124.087470	122.0
[M+HCOO]-	186.088411	151.4
[M+CH3COO]-	200.104061	173.6
[M+Na-2H]-	162.064876	133.4
[M]+	141.08966142	127.7
[M]-	141.09075858	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe