CID 521927

Artemiseole

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1(C2C(C2(CO1)C)C=C)C

InChI

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

InChIKey

HHDOWVHECSBICN-UHFFFAOYSA-N

Compound name

6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 152.12012 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]+	153.127396	131.9
[M+Na]+	175.109338	143.4
[M-H]-	151.112844	138.6
[M+NH4]+	170.153943	154.0
[M+K]+	191.083278	142.7
[M+H-H2O]+	135.117380	129.1
[M+HCOO]-	197.118321	152.1
[M+CH3COO]-	211.133971	181.4
[M+Na-2H]-	173.094786	139.3
[M]+	152.11957142	136.7
[M]-	152.12066858	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe