CID 156581607

Cladosporester a

Structural Information

Molecular Formula
C13H24O4
SMILES
CC(CCCCCC(C/C=C/C(=O)OC)O)O
InChI
InChI=1S/C13H24O4/c1-11(14)7-4-3-5-8-12(15)9-6-10-13(16)17-2/h6,10-12,14-15H,3-5,7-9H2,1-2H3/b10-6+
InChIKey
YMVOPCVZPBIGSM-UXBLZVDNSA-N
Compound name
methyl (E)-5,11-dihydroxydodec-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.16747 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.17475 162.5
[M+Na]+ 267.15669 165.9
[M-H]- 243.16019 158.9
[M+NH4]+ 262.20129 178.4
[M+K]+ 283.13063 164.2
[M+H-H2O]+ 227.16473 156.9
[M+HCOO]- 289.16567 179.3
[M+CH3COO]- 303.18132 190.4
[M+Na-2H]- 265.14214 161.0
[M]+ 244.16692 164.8
[M]- 244.16802 164.8
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

No patent data available for this compound.