CID 157009860

1,5-cineole

Structural Information

Molecular Formula
C10H18O
SMILES
CC(C)C1CC[C@]2(C[C@@H]1O2)C
InChI
InChI=1S/C10H18O/c1-7(2)8-4-5-10(3)6-9(8)11-10/h7-9H,4-6H2,1-3H3/t8?,9-,10-/m0/s1
InChIKey
SCBPMTMIWOKDGL-AGROOBSYSA-N
Compound name
(1S,5S)-1-methyl-4-propan-2-yl-6-oxabicyclo[3.1.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 143.1
[M+Na]+ 177.12499 147.8
[M-H]- 153.12849 143.0
[M+NH4]+ 172.16959 162.7
[M+K]+ 193.09893 150.7
[M+H-H2O]+ 137.13303 135.1
[M+HCOO]- 199.13397 154.7
[M+CH3COO]- 213.14962 186.5
[M+Na-2H]- 175.11044 152.7
[M]+ 154.13522 154.5
[M]- 154.13632 154.5
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.