CID 109233

Alpha-methyl-1h-imidazole-1-ethanol

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CC(CN1C=CN=C1)O

InChI

InChI=1S/C6H10N2O/c1-6(9)4-8-3-2-7-5-8/h2-3,5-6,9H,4H2,1H3

InChIKey

WCDFMPVITAWTGR-UHFFFAOYSA-N

Compound name

1-imidazol-1-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1666
Patents: 126.079315 Da
Monoisotopic Mass: -0.3
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]+	127.086591	125.3
[M+Na]+	149.068533	133.2
[M-H]-	125.072039	124.9
[M+NH4]+	144.113138	145.8
[M+K]+	165.042473	132.3
[M+H-H2O]+	109.076575	118.6
[M+HCOO]-	171.077516	146.7
[M+CH3COO]-	185.093166	168.0
[M+Na-2H]-	147.053981	130.9
[M]+	126.07876642	124.7
[M]-	126.07986358	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe