CID 19739617

10421-09-7

Structural Information

Molecular Formula

SMILES

C1=C(C=NO1)CCCO

InChI

InChI=1S/C6H9NO2/c8-3-1-2-6-4-7-9-5-6/h4-5,8H,1-3H2

InChIKey

UAJXYTTYMXWESL-UHFFFAOYSA-N

Compound name

3-(1,2-oxazol-4-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
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	123.1
[M+Na]+	150.05255	131.3
[M-H]-	126.05605	124.7
[M+NH4]+	145.09715	143.7
[M+K]+	166.02649	131.4
[M+H-H2O]+	110.06059	117.4
[M+HCOO]-	172.06153	146.1
[M+CH3COO]-	186.07718	166.3
[M+Na-2H]-	148.03800	131.0
[M]+	127.06278	124.7
[M]-	127.06388	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe