CID 6010275

Ai3-27678

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC1C(O1)(C)/C=C/C2C(O2)(C)C

InChI

InChI=1S/C10H16O2/c1-7-10(4,11-7)6-5-8-9(2,3)12-8/h5-8H,1-4H3/b6-5+

InChIKey

AJXYQJKBNYBUFD-AATRIKPKSA-N

Compound name

2-[(E)-2-(3,3-dimethyloxiran-2-yl)ethenyl]-2,3-dimethyloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.11504 Da
Monoisotopic Mass: 1.1
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]+	169.12232	122.4
[M+Na]+	191.10426	135.8
[M+NH4]+	186.14886	133.2
[M+K]+	207.07820	132.3
[M-H]-	167.10776	139.1
[M+Na-2H]-	189.08971	135.0
[M]+	168.11449	131.4
[M]-	168.11559	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe