CID 25156710

6,9-octadecadienedioic acid, (6z,9z)-

Structural Information

Molecular Formula
C18H30O4
SMILES
C(CCC/C=C\C/C=C\CCCCC(=O)O)CCCC(=O)O
InChI
InChI=1S/C18H30O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-2,5,7H,3-4,6,8-16H2,(H,19,20)(H,21,22)/b2-1-,7-5-
InChIKey
UANZCTRZDQLPDX-PQZOIKATSA-N
Compound name
(6Z,9Z)-octadeca-6,9-dienedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

310.21442 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.221696 181.2
[M+Na]+ 333.203638 183.3
[M-H]- 309.207144 176.6
[M+NH4]+ 328.248243 194.3
[M+K]+ 349.177578 178.6
[M+H-H2O]+ 293.211680 174.8
[M+HCOO]- 355.212621 197.8
[M+CH3COO]- 369.228271 202.8
[M+Na-2H]- 331.189086 178.5
[M]+ 310.21387142 184.7
[M]- 310.21496858 184.7
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