CID 57495010

Succinic acid, di(neryl) ester

Structural Information

Molecular Formula
C24H38O4
SMILES
CC(=CCC/C(=C\COC(=O)CCC(=O)OC/C=C(\CCC=C(C)C)/C)/C)C
InChI
InChI=1S/C24H38O4/c1-19(2)9-7-11-21(5)15-17-27-23(25)13-14-24(26)28-18-16-22(6)12-8-10-20(3)4/h9-10,15-16H,7-8,11-14,17-18H2,1-6H3/b21-15-,22-16-
InChIKey
WCOGJMOUNVGCLA-BMJUYKDLSA-N
Compound name
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

390.277 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.28428 203.9
[M+Na]+ 413.26622 204.8
[M-H]- 389.26972 200.3
[M+NH4]+ 408.31082 212.4
[M+K]+ 429.24016 201.2
[M+H-H2O]+ 373.27426 197.3
[M+HCOO]- 435.27520 207.0
[M+CH3COO]- 449.29085 224.5
[M+Na-2H]- 411.25167 194.7
[M]+ 390.27645 203.6
[M]- 390.27755 203.6
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.