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]+ 423.45604 222.7
[M+Na]+ 445.43798 217.6
[M-H]- 421.44148 219.6
[M+NH4]+ 440.48258 231.6
[M+K]+ 461.41192 211.4
[M+H-H2O]+ 405.44602 213.4
[M+HCOO]- 467.44696 233.7
[M+CH3COO]- 481.46261 232.3
[M+Na-2H]- 443.42343 215.3
[M]+ 422.44821 224.4
[M]- 422.44931 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.