CID 92215

1,2-epoxyheptane

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CCCCCC1CO1

InChI

InChI=1S/C7H14O/c1-2-3-4-5-7-6-8-7/h7H,2-6H2,1H3

InChIKey

NMOFYYYCFRVWBK-UHFFFAOYSA-N

Compound name

2-pentyloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5185
Patents: 114.10446 Da
Monoisotopic Mass: 2.5
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]+	115.111736	124.7
[M+Na]+	137.093678	133.6
[M-H]-	113.097184	130.1
[M+NH4]+	132.138283	141.6
[M+K]+	153.067618	133.7
[M+H-H2O]+	97.101720	118.8
[M+HCOO]-	159.102661	147.8
[M+CH3COO]-	173.118311	174.3
[M+Na-2H]-	135.079126	133.0
[M]+	114.10391142	129.6
[M]-	114.10500858	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe