CID 171118983

32-methyl-33-tritriacontalactone

Structural Information

Molecular Formula
C34H66O2
SMILES
CC1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1
InChI
InChI=1S/C34H66O2/c1-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34(35)36-32-33/h33H,2-32H2,1H3
InChIKey
GJGJMKFAHFDSMY-UHFFFAOYSA-N
Compound name
33-methyl-oxacyclotetratriacontan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.5063 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.51358 224.2
[M+Na]+ 529.49552 212.8
[M-H]- 505.49902 225.3
[M+NH4]+ 524.54012 222.8
[M+K]+ 545.46946 211.0
[M+H-H2O]+ 489.50356 219.7
[M+HCOO]- 551.50450 222.9
[M+CH3COO]- 565.52015 222.3
[M+Na-2H]- 527.48097 211.8
[M]+ 506.50575 196.9
[M]- 506.50685 196.9
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.