CID 34043

Brn 1636770

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

C#CCOCC1CCC(=O)O1

InChI

InChI=1S/C8H10O3/c1-2-5-10-6-7-3-4-8(9)11-7/h1,7H,3-6H2

InChIKey

OFRGUEUKTJODEE-UHFFFAOYSA-N

Compound name

5-(prop-2-ynoxymethyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 154.06299 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]+	155.070266	127.1
[M+Na]+	177.052208	137.0
[M-H]-	153.055714	129.6
[M+NH4]+	172.096813	146.3
[M+K]+	193.026148	135.3
[M+H-H2O]+	137.060250	116.0
[M+HCOO]-	199.061191	144.3
[M+CH3COO]-	213.076841	182.7
[M+Na-2H]-	175.037656	131.7
[M]+	154.06244142	123.1
[M]-	154.06353858	123.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe