CID 23757177

Megxp0_000384

Structural Information

Molecular Formula
C16H28O7
SMILES
CC1(C2CC(C1(CC2O)C)OC3C(C(C(C(O3)CO)O)O)O)C
InChI
InChI=1S/C16H28O7/c1-15(2)7-4-10(16(15,3)5-8(7)18)23-14-13(21)12(20)11(19)9(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3
InChIKey
AOHQEWBMTRLCSX-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[(5-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

332.1835 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19078 174.3
[M+Na]+ 355.17272 180.8
[M-H]- 331.17622 174.6
[M+NH4]+ 350.21732 193.3
[M+K]+ 371.14666 178.3
[M+H-H2O]+ 315.18076 173.5
[M+HCOO]- 377.18170 182.7
[M+CH3COO]- 391.19735 201.1
[M+Na-2H]- 353.15817 173.5
[M]+ 332.18295 173.6
[M]- 332.18405 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

patents stripe