CID 5281129

(3z,6z,9z)-dodecatrienol

Structural Information

Molecular Formula
C12H20O
SMILES
CC/C=C\C/C=C\C/C=C\CCO
InChI
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-4,6-7,9-10,13H,2,5,8,11-12H2,1H3/b4-3-,7-6-,10-9-
InChIKey
OFAUAWIRDOCHFP-PDBXOOCHSA-N
Compound name
(3Z,6Z,9Z)-dodeca-3,6,9-trien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

180.15141 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.15869 145.8
[M+Na]+ 203.14063 151.3
[M-H]- 179.14413 143.8
[M+NH4]+ 198.18523 165.5
[M+K]+ 219.11457 147.3
[M+H-H2O]+ 163.14867 140.9
[M+HCOO]- 225.14961 167.1
[M+CH3COO]- 239.16526 180.0
[M+Na-2H]- 201.12608 149.3
[M]+ 180.15086 146.6
[M]- 180.15196 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe