CID 10126440

2-hydroxy-4-oxo-5,12-heneicosadien-1-yl acetate

Structural Information

Molecular Formula
C23H40O4
SMILES
CCCCCCCC/C=C\CCCCC/C=C/C(=O)CC(COC(=O)C)O
InChI
InChI=1S/C23H40O4/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/h10-11,17-18,23,26H,3-9,12-16,19-20H2,1-2H3/b11-10-,18-17+
InChIKey
RCVPNKIEBGIOFR-APUJEFNWSA-N
Compound name
[(5E,12Z)-2-hydroxy-4-oxohenicosa-5,12-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

380.29266 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.29994 201.7
[M+Na]+ 403.28188 206.5
[M+NH4]+ 398.32648 207.2
[M+K]+ 419.25582 206.4
[M-H]- 379.28538 197.2
[M+Na-2H]- 401.26733 198.5
[M]+ 380.29211 200.4
[M]- 380.29321 200.4
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