CID 171119451

Canangalia e

Structural Information

Molecular Formula
C19H30O7
SMILES
CC(C)([C@@H](CC/C=C/CC/C=C/C(=O)OC)OC(=O)C(=C)C(CO)O)O
InChI
InChI=1S/C19H30O7/c1-14(15(21)13-20)18(23)26-16(19(2,3)24)11-9-7-5-6-8-10-12-17(22)25-4/h5,7,10,12,15-16,20-21,24H,1,6,8-9,11,13H2,2-4H3/b7-5+,12-10+/t15?,16-/m1/s1
InChIKey
WWWDYYDVTGDVSB-SBIAHCOISA-N
Compound name
methyl (2E,6E,10R)-10-(3,4-dihydroxy-2-methylidenebutanoyl)oxy-11-hydroxy-11-methyldodeca-2,6-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.19916 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.206436 190.1
[M+Na]+ 393.188378 193.2
[M-H]- 369.191884 186.9
[M+NH4]+ 388.232983 191.4
[M+K]+ 409.162318 189.1
[M+H-H2O]+ 353.196420 184.5
[M+HCOO]- 415.197361 190.4
[M+CH3COO]- 429.213011 210.5
[M+Na-2H]- 391.173826 184.6
[M]+ 370.19861142 185.8
[M]- 370.19970858 185.8
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.