CID 13321090

95104-46-4

Structural Information

Molecular Formula

SMILES

CC1=CC(=NO1)C(C)O

InChI

InChI=1S/C6H9NO2/c1-4-3-6(5(2)8)7-9-4/h3,5,8H,1-2H3

InChIKey

BRPQABWKQYZYQC-UHFFFAOYSA-N

Compound name

1-(5-methyl-1,2-oxazol-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 127.06333 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]+	128.07061	123.7
[M+Na]+	150.05255	134.9
[M+NH4]+	145.09715	131.5
[M+K]+	166.02649	132.8
[M-H]-	126.05605	125.0
[M+Na-2H]-	148.03800	128.3
[M]+	127.06278	125.5
[M]-	127.06388	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe