CID 11228905

Epoxycimene

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC(=CCC1C(O1)(C)C=C)C

InChI

InChI=1S/C10H16O/c1-5-10(4)9(11-10)7-6-8(2)3/h5-6,9H,1,7H2,2-4H3

InChIKey

DUBZPCHJCIFTKB-UHFFFAOYSA-N

Compound name

2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 152.12012 Da
Monoisotopic Mass: 2.7
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]+	153.127396	133.7
[M+Na]+	175.109338	143.4
[M-H]-	151.112844	139.5
[M+NH4]+	170.153943	151.3
[M+K]+	191.083278	142.7
[M+H-H2O]+	135.117380	129.2
[M+HCOO]-	197.118321	154.9
[M+CH3COO]-	211.133971	182.1
[M+Na-2H]-	173.094786	139.9
[M]+	152.11957142	138.5
[M]-	152.12066858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe