CID 171118993

34-methyl-27z-pentatriaconten-35-olactone

Structural Information

Molecular Formula
C36H68O2
SMILES
CC1CCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1
InChI
InChI=1S/C36H68O2/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/h20,22,35H,2-19,21,23-34H2,1H3/b22-20-
InChIKey
UYISGWCZPCYWQO-XDOYNYLZSA-N
Compound name
(28Z)-35-methyl-1-oxacyclohexatriacont-28-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.5219 Da
Monoisotopic Mass

16.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.52918 227.9
[M+Na]+ 555.51112 216.1
[M-H]- 531.51462 229.3
[M+NH4]+ 550.55572 225.2
[M+K]+ 571.48506 214.1
[M+H-H2O]+ 515.51916 223.2
[M+HCOO]- 577.52010 226.5
[M+CH3COO]- 591.53575 225.5
[M+Na-2H]- 553.49657 215.2
[M]+ 532.52135 200.3
[M]- 532.52245 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.