CID 52903771

2-(3-methylisoxazol-5-yl)ethanol

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	123.4
[M+Na]+	150.05255	135.0
[M+NH4]+	145.09715	131.4
[M+K]+	166.02649	132.0
[M-H]-	126.05605	124.9
[M+Na-2H]-	148.03800	128.4
[M]+	127.06278	125.3
[M]-	127.06388	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe