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

3
Patents

390.277 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.284276 203.9
[M+Na]+ 413.266218 204.8
[M-H]- 389.269724 200.3
[M+NH4]+ 408.310823 212.4
[M+K]+ 429.240158 201.2
[M+H-H2O]+ 373.274260 197.3
[M+HCOO]- 435.275201 207.0
[M+CH3COO]- 449.290851 224.5
[M+Na-2H]- 411.251666 194.7
[M]+ 390.27645142 203.6
[M]- 390.27754858 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

patents stripe