CID 129882128

Acrocarpunilactone

Structural Information

Molecular Formula
C39H76O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H]1CCC(=O)O1
InChI
InChI=1S/C39H76O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-38-36-37-39(40)41-38/h38H,2-37H2,1H3/t38-/m1/s1
InChIKey
XYBHVIIGFSTYKO-KXQOOQHDSA-N
Compound name
(5R)-5-pentatriacontyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.58453 Da
Monoisotopic Mass

18.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.59181 267.4
[M+Na]+ 599.57375 261.0
[M-H]- 575.57725 264.9
[M+NH4]+ 594.61835 260.2
[M+K]+ 615.54769 253.4
[M+H-H2O]+ 559.58179 256.8
[M+HCOO]- 621.58273 278.5
[M+CH3COO]- 635.59838 264.5
[M+Na-2H]- 597.55920 255.8
[M]+ 576.58398 279.0
[M]- 576.58508 279.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.