CID 3020998

Tetradec-13-ene-1,2-diol

Structural Information

Molecular Formula
C14H28O2
SMILES
C=CCCCCCCCCCCC(CO)O
InChI
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h2,14-16H,1,3-13H2
InChIKey
KLRIGFIZXKJATE-UHFFFAOYSA-N
Compound name
tetradec-13-ene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

228.20892 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.216196 161.9
[M+Na]+ 251.198138 165.0
[M-H]- 227.201644 157.9
[M+NH4]+ 246.242743 178.6
[M+K]+ 267.172078 161.6
[M+H-H2O]+ 211.206180 156.3
[M+HCOO]- 273.207121 179.7
[M+CH3COO]- 287.222771 189.9
[M+Na-2H]- 249.183586 162.3
[M]+ 228.20837142 163.9
[M]- 228.20946858 163.9
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