CID 69669

695-94-3

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CC1=NCCN1CCO

InChI

InChI=1S/C6H12N2O/c1-6-7-2-3-8(6)4-5-9/h9H,2-5H2,1H3

InChIKey

CDUGROIHQRGVJS-UHFFFAOYSA-N

Compound name

2-(2-methyl-4,5-dihydroimidazol-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
Patents: 128.09496 Da
Monoisotopic Mass: 0.0
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]+	129.102236	126.6
[M+Na]+	151.084178	134.7
[M-H]-	127.087684	126.1
[M+NH4]+	146.128783	147.4
[M+K]+	167.058118	133.6
[M+H-H2O]+	111.092220	120.2
[M+HCOO]-	173.093161	147.5
[M+CH3COO]-	187.108811	168.6
[M+Na-2H]-	149.069626	131.7
[M]+	128.09441142	125.6
[M]-	128.09550858	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe