CID 15203042

2-(2,4-dimethylphenyl)oxirane

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

CC1=CC(=C(C=C1)C2CO2)C

InChI

InChI=1S/C10H12O/c1-7-3-4-9(8(2)5-7)10-6-11-10/h3-5,10H,6H2,1-2H3

InChIKey

YPZGLFAPPDVLFY-UHFFFAOYSA-N

Compound name

2-(2,4-dimethylphenyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 148.08882 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]+	149.09610	130.8
[M+Na]+	171.07804	146.7
[M+NH4]+	166.12264	141.2
[M+K]+	187.05198	141.3
[M-H]-	147.08154	143.2
[M+Na-2H]-	169.06349	141.7
[M]+	148.08827	137.9
[M]-	148.08937	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe