CID 92588

Pent-2-ynyloxirane

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

CCC#CCC1CO1

InChI

InChI=1S/C7H10O/c1-2-3-4-5-7-6-8-7/h7H,2,5-6H2,1H3

InChIKey

KJJIVFBKAQJUMY-UHFFFAOYSA-N

Compound name

2-pent-2-ynyloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 110.073166 Da
Monoisotopic Mass: 1.4
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]+	111.080442	115.7
[M+Na]+	133.062384	131.3
[M-H]-	109.065890	121.7
[M+NH4]+	128.106989	132.8
[M+K]+	149.036324	127.4
[M+H-H2O]+	93.070426	106.8
[M+HCOO]-	155.071367	135.4
[M+CH3COO]-	169.087017	180.6
[M+Na-2H]-	131.047832	125.4
[M]+	110.07261742	116.3
[M]-	110.07371458	116.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe