CID 86681

8-hydroxytetradecan-7-one

Structural Information

Molecular Formula
C14H28O2
SMILES
CCCCCCC(C(=O)CCCCCC)O
InChI
InChI=1S/C14H28O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h13,15H,3-12H2,1-2H3
InChIKey
PQESRTWBQJRGON-UHFFFAOYSA-N
Compound name
8-hydroxytetradecan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

228.20892 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.216196 161.9
[M+Na]+ 251.198138 165.2
[M-H]- 227.201644 159.4
[M+NH4]+ 246.242743 179.3
[M+K]+ 267.172078 163.2
[M+H-H2O]+ 211.206180 156.2
[M+HCOO]- 273.207121 180.2
[M+CH3COO]- 287.222771 193.3
[M+Na-2H]- 249.183586 161.6
[M]+ 228.20837142 165.2
[M]- 228.20946858 165.2
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