CID 10655097

Sordidin

Structural Information

Molecular Formula
C11H20O2
SMILES
CC[C@@]12[C@H](C[C@@](O1)(C[C@H](O2)C)C)C
InChI
InChI=1S/C11H20O2/c1-5-11-8(2)6-10(4,13-11)7-9(3)12-11/h8-9H,5-7H2,1-4H3/t8-,9+,10+,11-/m0/s1
InChIKey
LOGJGKGBKZOEKZ-ZDCRXTMVSA-N
Compound name
(1S,3R,5R,7S)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1376
Patents

184.14633 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 138.9
[M+Na]+ 207.13555 147.0
[M-H]- 183.13905 143.1
[M+NH4]+ 202.18015 164.1
[M+K]+ 223.10949 147.7
[M+H-H2O]+ 167.14359 135.9
[M+HCOO]- 229.14453 155.8
[M+CH3COO]- 243.16018 183.2
[M+Na-2H]- 205.12100 146.7
[M]+ 184.14578 140.7
[M]- 184.14688 140.7
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.