CID 21931583

105922-68-7

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

C#CCOC1CCOC1

InChI

InChI=1S/C7H10O2/c1-2-4-9-7-3-5-8-6-7/h1,7H,3-6H2

InChIKey

VQOMGCFFCASDHO-UHFFFAOYSA-N

Compound name

3-prop-2-ynoxyoxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 126.06808 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]+	127.07536	121.6
[M+Na]+	149.05730	130.9
[M-H]-	125.06080	123.9
[M+NH4]+	144.10190	141.7
[M+K]+	165.03124	129.5
[M+H-H2O]+	109.06534	110.5
[M+HCOO]-	171.06628	138.8
[M+CH3COO]-	185.08193	178.0
[M+Na-2H]-	147.04275	127.3
[M]+	126.06753	116.3
[M]-	126.06863	116.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe