CID 523035

2,3-dehydro-1,8-cineole

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1(C2CCC(O1)(C=C2)C)C

InChI

InChI=1S/C10H16O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h4,6,8H,5,7H2,1-3H3

InChIKey

LOOYOTLEOHYYOV-UHFFFAOYSA-N

Compound name

1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-5-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 87
Patents: 152.12012 Da
Monoisotopic Mass: 1.9
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]+	153.12740	133.5
[M+Na]+	175.10934	140.6
[M-H]-	151.11284	132.0
[M+NH4]+	170.15394	162.1
[M+K]+	191.08328	139.6
[M+H-H2O]+	135.11738	129.0
[M+HCOO]-	197.11832	145.9
[M+CH3COO]-	211.13397	146.0
[M+Na-2H]-	173.09479	147.6
[M]+	152.11957	137.0
[M]-	152.12067	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe