CID 116461

Hexatriacontenylsuccinic anhydrde

Structural Information

Molecular Formula
C40H74O3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=O)OC1=O
InChI
InChI=1S/C40H74O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-37-39(41)43-40(38)42/h37H,2-36H2,1H3
InChIKey
HDSXLLORABRJOP-UHFFFAOYSA-N
Compound name
3-hexatriacontylfuran-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.5638 Da
Monoisotopic Mass

19.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.57108 271.5
[M+Na]+ 625.55302 270.8
[M-H]- 601.55652 243.5
[M+NH4]+ 620.59762 261.5
[M+K]+ 641.52696 258.7
[M+H-H2O]+ 585.56106 260.8
[M+HCOO]- 647.56200 278.9
[M+CH3COO]- 661.57765 269.1
[M+Na-2H]- 623.53847 259.9
[M]+ 602.56325 263.8
[M]- 602.56435 263.8
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.