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]+ 371.20644 190.1
[M+Na]+ 393.18838 193.2
[M-H]- 369.19188 186.9
[M+NH4]+ 388.23298 191.4
[M+K]+ 409.16232 189.1
[M+H-H2O]+ 353.19642 184.5
[M+HCOO]- 415.19736 190.4
[M+CH3COO]- 429.21301 210.5
[M+Na-2H]- 391.17383 184.6
[M]+ 370.19861 185.8
[M]- 370.19971 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.