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]+ 243.268246 170.0
[M+Na]+ 265.250188 172.0
[M-H]- 241.253694 167.3
[M+NH4]+ 260.294793 187.0
[M+K]+ 281.224128 170.1
[M+H-H2O]+ 225.258230 164.2
[M+HCOO]- 287.259171 186.2
[M+CH3COO]- 301.274821 199.2
[M+Na-2H]- 263.235636 167.3
[M]+ 242.26042142 172.6
[M]- 242.26151858 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.