CID 11214333

Nocardiolactone

Structural Information

Molecular Formula
C34H66O2
SMILES
CCCCCCCCCCCCCCCCCC[C@H]1[C@@H](OC1=O)CCCCCCCCCCCCC
InChI
InChI=1S/C34H66O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-30-32-33(36-34(32)35)31-29-27-25-23-20-14-12-10-8-6-4-2/h32-33H,3-31H2,1-2H3/t32-,33-/m0/s1
InChIKey
RKOCOEJHUKVQSU-LQJZCPKCSA-N
Compound name
(3S,4S)-3-octadecyl-4-tridecyloxetan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

506.5063 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.51358 244.3
[M+Na]+ 529.49552 240.1
[M-H]- 505.49902 243.4
[M+NH4]+ 524.54012 239.6
[M+K]+ 545.46946 237.1
[M+H-H2O]+ 489.50356 229.6
[M+HCOO]- 551.50450 258.5
[M+CH3COO]- 565.52015 254.5
[M+Na-2H]- 527.48097 235.9
[M]+ 506.50575 264.4
[M]- 506.50685 264.4
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