CID 131839789

Dihydroxychaulmoogric acid

Structural Information

Molecular Formula
C18H32O4
SMILES
C1CC(=C(C1CCCCCCCCCCCCC(=O)O)O)O
InChI
InChI=1S/C18H32O4/c19-16-14-13-15(18(16)22)11-9-7-5-3-1-2-4-6-8-10-12-17(20)21/h15,19,22H,1-14H2,(H,20,21)
InChIKey
AVUCHZPQKYTWLG-UHFFFAOYSA-N
Compound name
13-(2,3-dihydroxycyclopent-2-en-1-yl)tridecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.23007 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.23735 181.0
[M+Na]+ 335.21929 183.7
[M-H]- 311.22279 178.9
[M+NH4]+ 330.26389 195.4
[M+K]+ 351.19323 179.3
[M+H-H2O]+ 295.22733 174.7
[M+HCOO]- 357.22827 197.2
[M+CH3COO]- 371.24392 201.5
[M+Na-2H]- 333.20474 177.3
[M]+ 312.22952 182.9
[M]- 312.23062 182.9
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.