CID 6439034

Eleganolone

Structural Information

Molecular Formula
C20H32O2
SMILES
CC(=CC(=O)C/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C
InChI
InChI=1S/C20H32O2/c1-16(2)14-20(22)15-19(5)11-7-9-17(3)8-6-10-18(4)12-13-21/h8,11-12,14,21H,6-7,9-10,13,15H2,1-5H3/b17-8+,18-12+,19-11+
InChIKey
HJFXJURSUUYZPR-GDVLXBNMSA-N
Compound name
(6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

304.24023 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 182.6
[M+Na]+ 327.22945 184.5
[M-H]- 303.23295 179.7
[M+NH4]+ 322.27405 196.9
[M+K]+ 343.20339 180.0
[M+H-H2O]+ 287.23749 176.9
[M+HCOO]- 349.23843 197.0
[M+CH3COO]- 363.25408 207.7
[M+Na-2H]- 325.21490 175.8
[M]+ 304.23968 183.2
[M]- 304.24078 183.2
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