CID 171118989

34-methyl-17z,27z-pentatriacontadien-35-olide

Structural Information

Molecular Formula
C36H66O2
SMILES
CC1CCCCC/C=C\CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)OC1
InChI
InChI=1S/C36H66O2/c1-35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36(37)38-34-35/h2-3,20,22,35H,4-19,21,23-34H2,1H3/b3-2-,22-20-
InChIKey
KLXVPBSOYPRBEY-AEETXCDSSA-N
Compound name
(18Z,28Z)-35-methyl-1-oxacyclohexatriaconta-18,28-dien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.5063 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.51358 226.5
[M+Na]+ 553.49552 215.8
[M-H]- 529.49902 228.4
[M+NH4]+ 548.54012 224.0
[M+K]+ 569.46946 213.5
[M+H-H2O]+ 513.50356 221.9
[M+HCOO]- 575.50450 226.5
[M+CH3COO]- 589.52015 224.7
[M+Na-2H]- 551.48097 214.9
[M]+ 530.50575 200.3
[M]- 530.50685 200.3
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.