CID 52903771

218784-65-7

Structural Information

Molecular Formula

SMILES

CC1=NOC(=C1)CCO

InChI

InChI=1S/C6H9NO2/c1-5-4-6(2-3-8)9-7-5/h4,8H,2-3H2,1H3

InChIKey

CSLLGOLBQFQBMJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 127.06333 Da
Monoisotopic Mass: 0.4
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	122.8
[M+Na]+	150.05255	132.0
[M-H]-	126.05605	124.8
[M+NH4]+	145.09715	143.8
[M+K]+	166.02649	132.0
[M+H-H2O]+	110.06059	117.4
[M+HCOO]-	172.06153	145.8
[M+CH3COO]-	186.07718	167.4
[M+Na-2H]-	148.03800	130.0
[M]+	127.06278	124.8
[M]-	127.06388	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe