CID 73074749

6,8-tricosanediol

Structural Information

Molecular Formula
C23H48O2
SMILES
CCCCCCCCCCCCCCCC(CC(CCCCC)O)O
InChI
InChI=1S/C23H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-23(25)21-22(24)19-17-6-4-2/h22-25H,3-21H2,1-2H3
InChIKey
UTABNNBRPUDDNU-UHFFFAOYSA-N
Compound name
tricosane-6,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.36542 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.37270 204.2
[M+Na]+ 379.35464 203.0
[M-H]- 355.35814 198.5
[M+NH4]+ 374.39924 215.8
[M+K]+ 395.32858 198.4
[M+H-H2O]+ 339.36268 196.9
[M+HCOO]- 401.36362 217.8
[M+CH3COO]- 415.37927 218.3
[M+Na-2H]- 377.34009 198.6
[M]+ 356.36487 209.7
[M]- 356.36597 209.7
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.