CID 56936229

6-hydroxy-(e,e)-7,9-heneicosadien-11-one

Structural Information

Molecular Formula
C21H38O2
SMILES
CCCCCCCCCCC(=O)/C=C/C=C/C(CCCCC)O
InChI
InChI=1S/C21H38O2/c1-3-5-7-8-9-10-11-13-17-21(23)19-15-14-18-20(22)16-12-6-4-2/h14-15,18-20,22H,3-13,16-17H2,1-2H3/b18-14+,19-15+
InChIKey
YVHOHNBOYSRAMU-JSAVKQRWSA-N
Compound name
(7E,9E)-6-hydroxyhenicosa-7,9-dien-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.28717 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.29445 190.4
[M+Na]+ 345.27639 191.6
[M-H]- 321.27989 186.8
[M+NH4]+ 340.32099 204.1
[M+K]+ 361.25033 186.6
[M+H-H2O]+ 305.28443 183.7
[M+HCOO]- 367.28537 206.9
[M+CH3COO]- 381.30102 211.2
[M+Na-2H]- 343.26184 186.5
[M]+ 322.28662 194.8
[M]- 322.28772 194.8
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.