CID 117238039

2-(oxolan-3-yl)propane-1,3-diol

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

C1COCC1C(CO)CO

InChI

InChI=1S/C7H14O3/c8-3-7(4-9)6-1-2-10-5-6/h6-9H,1-5H2

InChIKey

YULFZWAVZSYYIR-UHFFFAOYSA-N

Compound name

2-(oxolan-3-yl)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 146.0943 Da
Monoisotopic Mass: -0.6
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]+	147.10158	131.4
[M+Na]+	169.08352	139.4
[M+NH4]+	164.12812	138.8
[M+K]+	185.05746	137.7
[M-H]-	145.08702	132.0
[M+Na-2H]-	167.06897	133.4
[M]+	146.09375	132.3
[M]-	146.09485	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.