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

1427
References

81327
Patents

154.13577 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 134.9
[M+Na]+ 177.124988 141.0
[M-H]- 153.128494 133.0
[M+NH4]+ 172.169593 163.3
[M+K]+ 193.098928 140.2
[M+H-H2O]+ 137.133030 130.5
[M+HCOO]- 199.133971 145.8
[M+CH3COO]- 213.149621 146.9
[M+Na-2H]- 175.110436 148.0
[M]+ 154.13522142 136.9
[M]- 154.13631858 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe