CID 73743889

Nehhnlsbiiculc-uhfffaoysa-n

Structural Information

Molecular Formula
C40H74O3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=CC1CC(=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/h35-36,38H,2-34,37H2,1H3
InChIKey
NEHHNLSBIICULC-UHFFFAOYSA-N
Compound name
3-hexatriacont-1-enyloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.5638 Da
Monoisotopic Mass

18.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.571076 263.2
[M+Na]+ 625.553018 272.7
[M-H]- 601.556524 245.9
[M+NH4]+ 620.597623 263.3
[M+K]+ 641.526958 257.3
[M+H-H2O]+ 585.561060 260.6
[M+HCOO]- 647.562001 281.5
[M+CH3COO]- 661.577651 268.3
[M+Na-2H]- 623.538466 258.6
[M]+ 602.56325142 265.0
[M]- 602.56434858 265.0
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.