CID 171118986

33-methyl-34-tetratriacontalactone

Structural Information

Molecular Formula
C35H68O2
SMILES
CC1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1
InChI
InChI=1S/C35H68O2/c1-34-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35(36)37-33-34/h34H,2-33H2,1H3
InChIKey
FJANTGGKWZIVPO-UHFFFAOYSA-N
Compound name
34-methyl-oxacyclopentatriacontan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.5219 Da
Monoisotopic Mass

16.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.52918 226.8
[M+Na]+ 543.51112 214.7
[M-H]- 519.51462 227.8
[M+NH4]+ 538.55572 224.7
[M+K]+ 559.48506 212.9
[M+H-H2O]+ 503.51916 222.2
[M+HCOO]- 565.52010 224.8
[M+CH3COO]- 579.53575 224.3
[M+Na-2H]- 541.49657 213.7
[M]+ 520.52135 198.7
[M]- 520.52245 198.7
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.