CID 92955

((octyloxy)methyl)oxirane

Structural Information

Molecular Formula

C₁₁H₂₂O₂

SMILES

CCCCCCCCOCC1CO1

InChI

InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-12-9-11-10-13-11/h11H,2-10H2,1H3

InChIKey

HRWYHCYGVIJOEC-UHFFFAOYSA-N

Compound name

2-(octoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3985
Patents: 186.16199 Da
Monoisotopic Mass: 3.2
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]+	187.16927	145.8
[M+Na]+	209.15121	153.0
[M-H]-	185.15471	150.3
[M+NH4]+	204.19581	159.8
[M+K]+	225.12515	152.3
[M+H-H2O]+	169.15925	138.9
[M+HCOO]-	231.16019	167.8
[M+CH3COO]-	245.17584	187.7
[M+Na-2H]-	207.13666	151.9
[M]+	186.16144	153.5
[M]-	186.16254	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe