CID 42607324

1,2-tricosanediol

Structural Information

Molecular Formula
C23H48O2
SMILES
CCCCCCCCCCCCCCCCCCCCCC(CO)O
InChI
InChI=1S/C23H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24/h23-25H,2-22H2,1H3
InChIKey
NQLZSOFWYPHLBE-UHFFFAOYSA-N
Compound name
tricosane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

356.36542 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.37270 203.2
[M+Na]+ 379.35464 202.1
[M-H]- 355.35814 197.3
[M+NH4]+ 374.39924 214.8
[M+K]+ 395.32858 197.1
[M+H-H2O]+ 339.36268 195.7
[M+HCOO]- 401.36362 217.7
[M+CH3COO]- 415.37927 217.5
[M+Na-2H]- 377.34009 198.8
[M]+ 356.36487 209.3
[M]- 356.36597 209.3
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

patents stripe