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]+ 239.200556 161.9
[M+Na]+ 261.182498 166.3
[M-H]- 237.186004 158.6
[M+NH4]+ 256.227103 178.6
[M+K]+ 277.156438 162.4
[M+H-H2O]+ 221.190540 157.9
[M+HCOO]- 283.191481 176.8
[M+CH3COO]- 297.207131 190.4
[M+Na-2H]- 259.167946 163.7
[M]+ 238.19273142 161.8
[M]- 238.19382858 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.