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]+ 237.18491 161.7
[M+Na]+ 259.16685 165.4
[M-H]- 235.17035 159.6
[M+NH4]+ 254.21145 178.8
[M+K]+ 275.14079 162.3
[M+H-H2O]+ 219.17489 156.6
[M+HCOO]- 281.17583 178.5
[M+CH3COO]- 295.19148 193.4
[M+Na-2H]- 257.15230 158.7
[M]+ 236.17708 161.8
[M]- 236.17818 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.