CID 101648402

(2e,6e)-1-hydroxy-2,6,10-farnesatrien-9-one

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(=CC(=O)C/C(=C/CC/C(=C/CO)/C)/C)C
InChI
InChI=1S/C15H24O2/c1-12(2)10-15(17)11-14(4)7-5-6-13(3)8-9-16/h7-8,10,16H,5-6,9,11H2,1-4H3/b13-8+,14-7+
InChIKey
VCXVMWVWGVWZPY-CCLLZULESA-N
Compound name
(6E,10E)-12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 161.7
[M+Na]+ 259.166848 165.4
[M-H]- 235.170354 159.6
[M+NH4]+ 254.211453 178.8
[M+K]+ 275.140788 162.3
[M+H-H2O]+ 219.174890 156.6
[M+HCOO]- 281.175831 178.5
[M+CH3COO]- 295.191481 193.4
[M+Na-2H]- 257.152296 158.7
[M]+ 236.17708142 161.8
[M]- 236.17817858 161.8
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.