CID 303804

Spiro[adamantane-2,2'-oxirane]

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

C1C2CC3CC1CC(C2)C34CO4

InChI

InChI=1S/C11H16O/c1-7-2-9-4-8(1)5-10(3-7)11(9)6-12-11/h7-10H,1-6H2

InChIKey

SVBWHNKBVYUWDJ-UHFFFAOYSA-N

Compound name

spiro[adamantane-2,2'-oxirane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 164.12012 Da
Monoisotopic Mass: 2.1
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]+	165.12740	134.5
[M+Na]+	187.10934	140.1
[M-H]-	163.11284	134.8
[M+NH4]+	182.15394	155.7
[M+K]+	203.08328	138.1
[M+H-H2O]+	147.11738	127.1
[M+HCOO]-	209.11832	141.1
[M+CH3COO]-	223.13397	144.8
[M+Na-2H]-	185.09479	146.8
[M]+	164.11957	137.1
[M]-	164.12067	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe