CID 6437904

Octatriacontenylsuccinic anhydride

Structural Information

Molecular Formula
C42H78O3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/CCCCCC1CC(=O)OC1=O
InChI
InChI=1S/C42H78O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-39-41(43)45-42(40)44/h32-33,40H,2-31,34-39H2,1H3/b33-32+
InChIKey
WGWNWFDUODMSQL-ULIFNZDWSA-N
Compound name
3-[(E)-octatriacont-6-enyl]oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

630.5951 Da
Monoisotopic Mass

19.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.60238 270.0
[M+Na]+ 653.58432 279.2
[M-H]- 629.58782 252.0
[M+NH4]+ 648.62892 270.0
[M+K]+ 669.55826 278.6
[M+H-H2O]+ 613.59236 272.1
[M+HCOO]- 675.59330 287.5
[M+CH3COO]- 689.60895 273.9
[M+Na-2H]- 651.56977 252.2
[M]+ 630.59455 271.7
[M]- 630.59565 271.7
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.