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

6
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

literature stripe

Patent stripe

patents stripe