CID 5283289

3s,7s-dimethyl-2s-tetradecanol

Structural Information

Molecular Formula
C16H34O
SMILES
CCCCCCC[C@H](C)CCC[C@H](C)[C@H](C)O
InChI
InChI=1S/C16H34O/c1-5-6-7-8-9-11-14(2)12-10-13-15(3)16(4)17/h14-17H,5-13H2,1-4H3/t14-,15-,16-/m0/s1
InChIKey
JTZIYJDXBDDKLA-JYJNAYRXSA-N
Compound name
(2S,3S,7S)-3,7-dimethyltetradecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.26097 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.26825 170.0
[M+Na]+ 265.25019 172.0
[M-H]- 241.25369 167.3
[M+NH4]+ 260.29479 187.0
[M+K]+ 281.22413 170.1
[M+H-H2O]+ 225.25823 164.2
[M+HCOO]- 287.25917 186.2
[M+CH3COO]- 301.27482 199.2
[M+Na-2H]- 263.23564 167.3
[M]+ 242.26042 172.6
[M]- 242.26152 172.6
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

No patent data available for this compound.