CID 57736295

861136-17-6

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

CC(C)(C1=CC(=NO1)CO)O

InChI

InChI=1S/C7H11NO3/c1-7(2,10)6-3-5(4-9)8-11-6/h3,9-10H,4H2,1-2H3

InChIKey

QZAMFJOWYBXFKJ-UHFFFAOYSA-N

Compound name

2-[3-(hydroxymethyl)-1,2-oxazol-5-yl]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 157.0739 Da
Monoisotopic Mass: -0.7
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]+	158.08118	131.4
[M+Na]+	180.06312	139.9
[M-H]-	156.06662	132.1
[M+NH4]+	175.10772	150.4
[M+K]+	196.03706	139.7
[M+H-H2O]+	140.07116	126.5
[M+HCOO]-	202.07210	151.1
[M+CH3COO]-	216.08775	170.3
[M+Na-2H]-	178.04857	138.4
[M]+	157.07335	132.8
[M]-	157.07445	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe