CID 88261

1,14-tetradecanediol

Structural Information

Molecular Formula
C14H30O2
SMILES
C(CCCCCCCO)CCCCCCO
InChI
InChI=1S/C14H30O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h15-16H,1-14H2
InChIKey
XLKZJJVNBQCVIX-UHFFFAOYSA-N
Compound name
tetradecane-1,14-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

7215
Patents

230.22458 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.23186 160.2
[M+Na]+ 253.21380 168.1
[M+NH4]+ 248.25840 166.4
[M+K]+ 269.18774 160.9
[M-H]- 229.21730 158.5
[M+Na-2H]- 251.19925 161.2
[M]+ 230.22403 160.5
[M]- 230.22513 160.5
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