CID 6437905

Tetracontenylsuccinic anhydride

Structural Information

Molecular Formula
C44H82O3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/CCCCCC1CC(=O)OC1=O
InChI
InChI=1S/C44H82O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-41-43(45)47-44(42)46/h34-35,42H,2-33,36-41H2,1H3/b35-34+
InChIKey
IXWBHHJBQSZMAF-XAHDOWKMSA-N
Compound name
3-[(E)-tetracont-6-enyl]oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

658.6264 Da
Monoisotopic Mass

20.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.633676 276.8
[M+Na]+ 681.615618 285.6
[M-H]- 657.619124 258.0
[M+NH4]+ 676.660223 276.7
[M+K]+ 697.589558 285.8
[M+H-H2O]+ 641.623660 278.6
[M+HCOO]- 703.624601 293.5
[M+CH3COO]- 717.640251 279.4
[M+Na-2H]- 679.601066 258.1
[M]+ 658.62585142 278.3
[M]- 658.62694858 278.3
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