CID 5275507

(2e,6e)-farnesoate

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

56
References

375
Patents

236.17763 Da
Monoisotopic Mass

5.0
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

patents stripe