CID 15965730

(2r)-2-nonyloxirane

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CCCCCCCCC[C@@H]1CO1

InChI

InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-11-10-12-11/h11H,2-10H2,1H3/t11-/m1/s1

InChIKey

LXVAZSIZYQIZCR-LLVKDONJSA-N

Compound name

(2R)-2-nonyloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 170.16707 Da
Monoisotopic Mass: 4.6
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]+	171.174346	142.0
[M+Na]+	193.156288	149.3
[M-H]-	169.159794	146.6
[M+NH4]+	188.200893	156.8
[M+K]+	209.130228	148.4
[M+H-H2O]+	153.164330	135.3
[M+HCOO]-	215.165271	163.9
[M+CH3COO]-	229.180921	185.9
[M+Na-2H]-	191.141736	148.2
[M]+	170.16652142	148.3
[M]-	170.16761858	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe