CID 2758

Eucalyptol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC1(C2CCC(O1)(CC2)C)C

InChI

InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3

InChIKey

WEEGYLXZBRQIMU-UHFFFAOYSA-N

Compound name

1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 1419
References: 82814
Patents: 154.13577 Da
Monoisotopic Mass: 2.5
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]+	155.14305	134.9
[M+Na]+	177.12499	141.0
[M-H]-	153.12849	133.0
[M+NH4]+	172.16959	163.3
[M+K]+	193.09893	140.2
[M+H-H2O]+	137.13303	130.5
[M+HCOO]-	199.13397	145.8
[M+CH3COO]-	213.14962	146.9
[M+Na-2H]-	175.11044	148.0
[M]+	154.13522	136.9
[M]-	154.13632	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe