CID 131751886

[(e)-2-hydroxy-4-oxohenicos-5-enyl] acetate

Structural Information

Molecular Formula
C23H42O4
SMILES
CCCCCCCCCCCCCCC/C=C/C(=O)CC(COC(=O)C)O
InChI
InChI=1S/C23H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h17-18,23,26H,3-16,19-20H2,1-2H3/b18-17+
InChIKey
NLXNQLZUOMHEHB-ISLYRVAYSA-N
Compound name
[(E)-2-hydroxy-4-oxohenicos-5-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.30832 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.315596 205.3
[M+Na]+ 405.297538 205.3
[M-H]- 381.301044 201.2
[M+NH4]+ 400.342143 206.8
[M+K]+ 421.271478 201.3
[M+H-H2O]+ 365.305580 197.8
[M+HCOO]- 427.306521 212.5
[M+CH3COO]- 441.322171 221.6
[M+Na-2H]- 403.282986 199.3
[M]+ 382.30777142 212.7
[M]- 382.30886858 212.7
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.