CID 157010350

Linalool oxide (cis-anhydrofuran)

Structural Information

Molecular Formula
C10H20O2
SMILES
C[C@@H](CCC[C@](C)(C=C)O)CO
InChI
InChI=1S/C10H20O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,9,11-12H,1,5-8H2,2-3H3/t9-,10-/m0/s1
InChIKey
GFOMTORUAWAGGU-UWVGGRQHSA-N
Compound name
(2S,6R)-2,6-dimethyloct-7-ene-1,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.14633 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 143.3
[M+Na]+ 195.13555 148.6
[M-H]- 171.13905 140.4
[M+NH4]+ 190.18015 162.5
[M+K]+ 211.10949 146.6
[M+H-H2O]+ 155.14359 139.3
[M+HCOO]- 217.14453 160.9
[M+CH3COO]- 231.16018 178.1
[M+Na-2H]- 193.12100 146.6
[M]+ 172.14578 143.3
[M]- 172.14688 143.3
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.