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]+ 383.31560 205.3
[M+Na]+ 405.29754 205.3
[M-H]- 381.30104 201.2
[M+NH4]+ 400.34214 206.8
[M+K]+ 421.27148 201.3
[M+H-H2O]+ 365.30558 197.8
[M+HCOO]- 427.30652 212.5
[M+CH3COO]- 441.32217 221.6
[M+Na-2H]- 403.28299 199.3
[M]+ 382.30777 212.7
[M]- 382.30887 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.