CID 9248

1,2-epoxycyclododecane

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

C1CCCCCC2C(O2)CCCC1

InChI

InChI=1S/C12H22O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h11-12H,1-10H2

InChIKey

VLJLXEKIAALSJE-UHFFFAOYSA-N

Compound name

13-oxabicyclo[10.1.0]tridecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2375
Patents: 182.16707 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]+	183.17435	136.9
[M+Na]+	205.15629	141.7
[M-H]-	181.15979	139.6
[M+NH4]+	200.20089	148.9
[M+K]+	221.13023	143.1
[M+H-H2O]+	165.16433	134.2
[M+HCOO]-	227.16527	153.0
[M+CH3COO]-	241.18092	147.6
[M+Na-2H]-	203.14174	142.4
[M]+	182.16652	131.4
[M]-	182.16762	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe