CID 59594973

1-(oxolan-3-yl)ethan-1-ol

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CC(C1CCOC1)O

InChI

InChI=1S/C6H12O2/c1-5(7)6-2-3-8-4-6/h5-7H,2-4H2,1H3

InChIKey

ARDSHQRPKXPELC-UHFFFAOYSA-N

Compound name

1-(oxolan-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 116.08373 Da
Monoisotopic Mass: 0.2
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]+	117.091006	124.1
[M+Na]+	139.072948	129.8
[M-H]-	115.076454	126.5
[M+NH4]+	134.117553	146.2
[M+K]+	155.046888	130.8
[M+H-H2O]+	99.080990	119.5
[M+HCOO]-	161.081931	144.3
[M+CH3COO]-	175.097581	165.2
[M+Na-2H]-	137.058396	128.8
[M]+	116.08318142	121.6
[M]-	116.08427858	121.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe