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

1421
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

literature stripe

Patent stripe

patents stripe