CID 156581609

Cladosporester c

Structural Information

Molecular Formula
C14H24O6
SMILES
COC(=O)CCCCCC/C=C/C(=O)OCC(CO)O
InChI
InChI=1S/C14H24O6/c1-19-13(17)8-6-4-2-3-5-7-9-14(18)20-11-12(16)10-15/h7,9,12,15-16H,2-6,8,10-11H2,1H3/b9-7+
InChIKey
WABSIBOPGQPWRD-VQHVLOKHSA-N
Compound name
1-O-(2,3-dihydroxypropyl) 10-O-methyl (E)-dec-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1573 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16458 170.1
[M+Na]+ 311.14652 173.2
[M-H]- 287.15002 166.3
[M+NH4]+ 306.19112 184.1
[M+K]+ 327.12046 171.9
[M+H-H2O]+ 271.15456 164.0
[M+HCOO]- 333.15550 187.3
[M+CH3COO]- 347.17115 196.0
[M+Na-2H]- 309.13197 168.4
[M]+ 288.15675 175.0
[M]- 288.15785 175.0
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.