CID 5074764

2-[(heptyloxy)methyl]oxirane

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCCCCCCOCC1CO1

InChI

InChI=1S/C10H20O2/c1-2-3-4-5-6-7-11-8-10-9-12-10/h10H,2-9H2,1H3

InChIKey

INSCMIFABOJDRE-UHFFFAOYSA-N

Compound name

2-(heptoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 948
Patents: 172.14633 Da
Monoisotopic Mass: 2.6
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]+	173.153606	141.5
[M+Na]+	195.135548	149.2
[M-H]-	171.139054	146.2
[M+NH4]+	190.180153	156.1
[M+K]+	211.109488	148.7
[M+H-H2O]+	155.143590	134.8
[M+HCOO]-	217.144531	163.8
[M+CH3COO]-	231.160181	184.8
[M+Na-2H]-	193.120996	148.1
[M]+	172.14578142	148.8
[M]-	172.14687858	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe