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]+ 155.143046 143.1
[M+Na]+ 177.124988 147.8
[M-H]- 153.128494 143.0
[M+NH4]+ 172.169593 162.7
[M+K]+ 193.098928 150.7
[M+H-H2O]+ 137.133030 135.1
[M+HCOO]- 199.133971 154.7
[M+CH3COO]- 213.149621 186.5
[M+Na-2H]- 175.110436 152.7
[M]+ 154.13522142 154.5
[M]- 154.13631858 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.