CID 61718

14228-73-0

Structural Information

Molecular Formula

C₁₄H₂₄O₄

SMILES

C1CC(CCC1COCC2CO2)COCC3CO3

InChI

InChI=1S/C14H24O4/c1-2-12(6-16-8-14-10-18-14)4-3-11(1)5-15-7-13-9-17-13/h11-14H,1-10H2

InChIKey

VQMQXWYQIIUJIT-UHFFFAOYSA-N

Compound name

2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2869
Patents: 256.16745 Da
Monoisotopic Mass: 1.0
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]+	257.17473	139.5
[M+Na]+	279.15667	151.0
[M+NH4]+	274.20127	147.6
[M+K]+	295.13061	150.0
[M-H]-	255.16017	156.7
[M+Na-2H]-	277.14212	149.4
[M]+	256.16690	147.9
[M]-	256.16800	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe