CID 46214744

Anthelminthicins b

Structural Information

Molecular Formula
C17H30O4
SMILES
C1C[C@H](C=C1)CCCCCCCCC(=O)OCC(CO)O
InChI
InChI=1S/C17H30O4/c18-13-16(19)14-21-17(20)12-6-4-2-1-3-5-9-15-10-7-8-11-15/h7,10,15-16,18-19H,1-6,8-9,11-14H2/t15-,16?/m0/s1
InChIKey
UZRAFOVPRMUAFS-VYRBHSGPSA-N
Compound name
2,3-dihydroxypropyl 9-[(1R)-cyclopent-2-en-1-yl]nonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

298.21442 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.22170 178.5
[M+Na]+ 321.20364 180.0
[M-H]- 297.20714 177.3
[M+NH4]+ 316.24824 193.6
[M+K]+ 337.17758 177.1
[M+H-H2O]+ 281.21168 171.7
[M+HCOO]- 343.21262 195.6
[M+CH3COO]- 357.22827 198.7
[M+Na-2H]- 319.18909 175.7
[M]+ 298.21387 180.4
[M]- 298.21497 180.4
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