CID 56936051

24-tetracosanolide

Structural Information

Molecular Formula
C24H46O2
SMILES
C1CCCCCCCCCCCC(=O)OCCCCCCCCCCC1
InChI
InChI=1S/C24H46O2/c25-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-26-24/h1-23H2
InChIKey
SICXJMTZGHQPDU-UHFFFAOYSA-N
Compound name
oxacyclopentacosan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

366.3498 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.35708 192.1
[M+Na]+ 389.33902 185.9
[M-H]- 365.34252 193.1
[M+NH4]+ 384.38362 197.6
[M+K]+ 405.31296 185.2
[M+H-H2O]+ 349.34706 188.1
[M+HCOO]- 411.34800 198.2
[M+CH3COO]- 425.36365 200.1
[M+Na-2H]- 387.32447 186.6
[M]+ 366.34925 171.5
[M]- 366.35035 171.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe