CID 129687293

151454-21-6

Structural Information

Molecular Formula
C29H58O
SMILES
CCCCCCCCCCCCCCCCCCCC(CCCC1CCCCC1)O
InChI
InChI=1S/C29H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-29(30)27-22-25-28-23-19-18-20-24-28/h28-30H,2-27H2,1H3
InChIKey
NOUDABILYBTVKT-UHFFFAOYSA-N
Compound name
1-cyclohexyltricosan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.44876 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.456036 222.7
[M+Na]+ 445.437978 217.6
[M-H]- 421.441484 219.6
[M+NH4]+ 440.482583 231.6
[M+K]+ 461.411918 211.4
[M+H-H2O]+ 405.446020 213.4
[M+HCOO]- 467.446961 233.7
[M+CH3COO]- 481.462611 232.3
[M+Na-2H]- 443.423426 215.3
[M]+ 422.44821142 224.4
[M]- 422.44930858 224.4
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.