CID 129882258

Actinomiaolone

Structural Information

Molecular Formula
C37H72O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1
InChI
InChI=1S/C37H72O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-36-34-35-37(38)39-36/h36H,2-35H2,1H3/t36-/m0/s1
InChIKey
QDMSVBSGCFFYNT-BHVANESWSA-N
Compound name
(5S)-5-tritriacontyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.5532 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.56048 259.2
[M+Na]+ 571.54242 253.7
[M-H]- 547.54592 257.1
[M+NH4]+ 566.58702 253.3
[M+K]+ 587.51636 246.6
[M+H-H2O]+ 531.55046 248.9
[M+HCOO]- 593.55140 272.2
[M+CH3COO]- 607.56705 258.9
[M+Na-2H]- 569.52787 248.6
[M]+ 548.55265 270.2
[M]- 548.55375 270.2
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.