CID 10106

1,4-cineole

Structural Information

Molecular Formula
C10H18O
SMILES
CC(C)C12CCC(O1)(CC2)C
InChI
InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3
InChIKey
RFFOTVCVTJUTAD-UHFFFAOYSA-N
Compound name
1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

17
References

15670
Patents

154.13577 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 136.3
[M+Na]+ 177.12499 143.7
[M-H]- 153.12849 139.8
[M+NH4]+ 172.16959 165.1
[M+K]+ 193.09893 143.3
[M+H-H2O]+ 137.13303 133.6
[M+HCOO]- 199.13397 155.5
[M+CH3COO]- 213.14962 176.8
[M+Na-2H]- 175.11044 142.0
[M]+ 154.13522 136.4
[M]- 154.13632 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.