CID 171118996

36-methyl-17z,29z-heptatriacontadien-37-olide

Structural Information

Molecular Formula
C38H70O2
SMILES
CC1CCCCC/C=C\CCCCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)OC1
InChI
InChI=1S/C38H70O2/c1-37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(39)40-36-37/h3,5,22,24,37H,2,4,6-21,23,25-36H2,1H3/b5-3-,24-22-
InChIKey
FBOLQLLOFMNBNI-FOMAMRFNSA-N
Compound name
(18Z,30Z)-37-methyl-1-oxacyclooctatriaconta-18,30-dien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.5376 Da
Monoisotopic Mass

16.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.54488 231.3
[M+Na]+ 581.52682 219.3
[M-H]- 557.53032 233.0
[M+NH4]+ 576.57142 227.4
[M+K]+ 597.50076 217.0
[M+H-H2O]+ 541.53486 226.5
[M+HCOO]- 603.53580 229.8
[M+CH3COO]- 617.55145 228.4
[M+Na-2H]- 579.51227 218.5
[M]+ 558.53705 203.4
[M]- 558.53815 203.4
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.