CID 171118994

34-methyl-35-pentatriacontalactone

Structural Information

Molecular Formula
C36H70O2
SMILES
CC1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1
InChI
InChI=1S/C36H70O2/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/h35H,2-34H2,1H3
InChIKey
FEIPTWBDZHWRBX-UHFFFAOYSA-N
Compound name
35-methyl-oxacyclohexatriacontan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.5376 Da
Monoisotopic Mass

17.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.54488 229.3
[M+Na]+ 557.52682 216.6
[M-H]- 533.53032 230.2
[M+NH4]+ 552.57142 226.5
[M+K]+ 573.50076 214.7
[M+H-H2O]+ 517.53486 224.6
[M+HCOO]- 579.53580 226.5
[M+CH3COO]- 593.55145 226.3
[M+Na-2H]- 555.51227 215.6
[M]+ 534.53705 200.4
[M]- 534.53815 200.4
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.