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

3
Patents

658.6264 Da
Monoisotopic Mass

20.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.63368 276.8
[M+Na]+ 681.61562 285.6
[M-H]- 657.61912 258.0
[M+NH4]+ 676.66022 276.7
[M+K]+ 697.58956 285.8
[M+H-H2O]+ 641.62366 278.6
[M+HCOO]- 703.62460 293.5
[M+CH3COO]- 717.64025 279.4
[M+Na-2H]- 679.60107 258.1
[M]+ 658.62585 278.3
[M]- 658.62695 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