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

1
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

patents stripe