CID 5279297

Epilitsenolide d2

Structural Information

Molecular Formula
C17H30O3
SMILES
CCCCCCCCCCC/C=C/1\[C@H]([C@H](OC1=O)C)O
InChI
InChI=1S/C17H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-16(18)14(2)20-17(15)19/h13-14,16,18H,3-12H2,1-2H3/b15-13+/t14-,16+/m1/s1
InChIKey
NSMMPEJLOMMKCX-AHZXUYQPSA-N
Compound name
(3E,4R,5R)-3-dodecylidene-4-hydroxy-5-methyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.21948 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.22676 172.9
[M+Na]+ 305.20870 177.7
[M-H]- 281.21220 174.4
[M+NH4]+ 300.25330 189.2
[M+K]+ 321.18264 174.6
[M+H-H2O]+ 265.21674 167.2
[M+HCOO]- 327.21768 191.1
[M+CH3COO]- 341.23333 200.9
[M+Na-2H]- 303.19415 171.2
[M]+ 282.21893 176.2
[M]- 282.22003 176.2
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

No patent data available for this compound.