CID 154700065

Ns00117775

Structural Information

Molecular Formula
C16H24O8
SMILES
CC12CCC(C1)C(C2=O)(C)COC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI
InChI=1S/C16H24O8/c1-15-4-3-7(5-15)16(2,14(15)22)6-23-13-10(19)8(17)9(18)11(24-13)12(20)21/h7-11,13,17-19H,3-6H2,1-2H3,(H,20,21)/t7?,8-,9-,10+,11-,13?,15?,16?/m0/s1
InChIKey
WUUFOFXDXHAZSG-ZNYBNKCLSA-N
Compound name
(2S,3S,4S,5R)-6-[(2,4-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.14713 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15441 174.1
[M+Na]+ 367.13635 178.1
[M+NH4]+ 362.18095 180.8
[M+K]+ 383.11029 177.7
[M-H]- 343.13985 172.0
[M+Na-2H]- 365.12180 172.0
[M]+ 344.14658 173.6
[M]- 344.14768 173.6
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

No patent data available for this compound.