CID 5283288

3s,7s-dimethyl-2s-tridecanol

Structural Information

Molecular Formula
C15H32O
SMILES
CCCCCC[C@H](C)CCC[C@H](C)[C@H](C)O
InChI
InChI=1S/C15H32O/c1-5-6-7-8-10-13(2)11-9-12-14(3)15(4)16/h13-16H,5-12H2,1-4H3/t13-,14-,15-/m0/s1
InChIKey
GSOHTXXXDWFCAJ-KKUMJFAQSA-N
Compound name
(2S,3S,7S)-3,7-dimethyltridecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

228.24532 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.25260 165.4
[M+Na]+ 251.23454 167.8
[M-H]- 227.23804 162.8
[M+NH4]+ 246.27914 182.9
[M+K]+ 267.20848 166.2
[M+H-H2O]+ 211.24258 159.8
[M+HCOO]- 273.24352 181.9
[M+CH3COO]- 287.25917 196.2
[M+Na-2H]- 249.21999 163.2
[M]+ 228.24477 167.6
[M]- 228.24587 167.6
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.