CID 6436649

(z)-pent-2-enyloxirane

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

CC/C=C\CC1CO1

InChI

InChI=1S/C7H12O/c1-2-3-4-5-7-6-8-7/h3-4,7H,2,5-6H2,1H3/b4-3-

InChIKey

PAMAYFDIVUSTFP-ARJAWSKDSA-N

Compound name

2-[(Z)-pent-2-enyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 112.08881 Da
Monoisotopic Mass: 1.7
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]+	113.096086	123.9
[M+Na]+	135.078028	133.1
[M-H]-	111.081534	129.3
[M+NH4]+	130.122633	140.8
[M+K]+	151.051968	132.7
[M+H-H2O]+	95.086070	118.1
[M+HCOO]-	157.087011	147.2
[M+CH3COO]-	171.102661	172.8
[M+Na-2H]-	133.063476	132.2
[M]+	112.08826142	128.0
[M]-	112.08935858	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe