CID 78056

2-n-nonyl-1,3-dioxolane

Structural Information

Molecular Formula

C₁₂H₂₄O₂

SMILES

CCCCCCCCCC1OCCO1

InChI

InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h12H,2-11H2,1H3

InChIKey

QPILHXCDZYWYLQ-UHFFFAOYSA-N

Compound name

2-nonyl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 2862
Patents: 200.17763 Da
Monoisotopic Mass: 4.4
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]+	201.184906	151.2
[M+Na]+	223.166848	155.2
[M-H]-	199.170354	154.4
[M+NH4]+	218.211453	169.4
[M+K]+	239.140788	155.9
[M+H-H2O]+	183.174890	145.4
[M+HCOO]-	245.175831	171.0
[M+CH3COO]-	259.191481	185.3
[M+Na-2H]-	221.152296	155.3
[M]+	200.17708142	154.0
[M]-	200.17817858	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe