CID 102328483

Linalool oxide (cis-pyran)

Structural Information

Molecular Formula
C11H20O2
SMILES
C[C@]1(CC[C@](O1)(C)C(C)(C)O)C=C
InChI
InChI=1S/C11H20O2/c1-6-10(4)7-8-11(5,13-10)9(2,3)12/h6,12H,1,7-8H2,2-5H3/t10-,11-/m1/s1
InChIKey
SUOCCLKULOHEBG-GHMZBOCLSA-N
Compound name
2-[(2R,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.14633 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 140.9
[M+Na]+ 207.13555 149.8
[M+NH4]+ 202.18015 151.2
[M+K]+ 223.10949 143.8
[M-H]- 183.13905 141.9
[M+Na-2H]- 205.12100 146.6
[M]+ 184.14578 142.7
[M]- 184.14688 142.7
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.