CID 131752076

1,6,9-farnesatriene-3,11-diol

Structural Information

Molecular Formula
C15H26O2
SMILES
C/C(=C/CCC(C)(C=C)O)/C/C=C/C(C)(C)O
InChI
InChI=1S/C15H26O2/c1-6-15(5,17)12-8-10-13(2)9-7-11-14(3,4)16/h6-7,10-11,16-17H,1,8-9,12H2,2-5H3/b11-7+,13-10-
InChIKey
WPGYCMWKXXCJMW-JSJZFMHOSA-N
Compound name
(3E,6Z)-2,6,10-trimethyldodeca-3,6,11-triene-2,10-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 161.9
[M+Na]+ 261.18250 166.3
[M-H]- 237.18600 158.6
[M+NH4]+ 256.22710 178.6
[M+K]+ 277.15644 162.4
[M+H-H2O]+ 221.19054 157.9
[M+HCOO]- 283.19148 176.8
[M+CH3COO]- 297.20713 190.4
[M+Na-2H]- 259.16795 163.7
[M]+ 238.19273 161.8
[M]- 238.19383 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.