CID 5283269

10-propyl-5,9-tridecadien-1-ol

Structural Information

Molecular Formula
C16H30O
SMILES
CCCC(=CCC/C=C/CCCCO)CCC
InChI
InChI=1S/C16H30O/c1-3-12-16(13-4-2)14-10-8-6-5-7-9-11-15-17/h5-6,14,17H,3-4,7-13,15H2,1-2H3/b6-5+
InChIKey
VFBQBIBMXSKCFS-AATRIKPKSA-N
Compound name
(5E)-10-propyltrideca-5,9-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

238.22966 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.23694 166.1
[M+Na]+ 261.21888 169.3
[M-H]- 237.22238 163.3
[M+NH4]+ 256.26348 183.4
[M+K]+ 277.19282 165.3
[M+H-H2O]+ 221.22692 160.4
[M+HCOO]- 283.22786 184.8
[M+CH3COO]- 297.24351 194.4
[M+Na-2H]- 259.20433 166.1
[M]+ 238.22911 168.5
[M]- 238.23021 168.5
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

No patent data available for this compound.