CID 3000518

Cotexin

Structural Information

Molecular Formula
C15H24O5
SMILES
C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)O)C
InChI
InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1
InChIKey
BJDCWCLMFKKGEE-ISOSDAIHSA-N
Compound name
(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2050
References

4679
Patents

284.16238 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.16966 159.9
[M+Na]+ 307.15160 167.5
[M-H]- 283.15510 164.7
[M+NH4]+ 302.19620 176.8
[M+K]+ 323.12554 165.5
[M+H-H2O]+ 267.15964 157.9
[M+HCOO]- 329.16058 162.7
[M+CH3COO]- 343.17623 168.6
[M+Na-2H]- 305.13705 169.3
[M]+ 284.16183 159.7
[M]- 284.16293 159.7
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.