CID 3086441

Tetracosane-1,2-diol

Structural Information

Molecular Formula
C24H50O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(CO)O
InChI
InChI=1S/C24H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)23-25/h24-26H,2-23H2,1H3
InChIKey
PTSXVUICYWATQI-UHFFFAOYSA-N
Compound name
tetracosane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

370.38107 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.388346 207.5
[M+Na]+ 393.370288 206.0
[M-H]- 369.373794 201.4
[M+NH4]+ 388.414893 218.5
[M+K]+ 409.344228 200.7
[M+H-H2O]+ 353.378330 199.8
[M+HCOO]- 415.379271 221.7
[M+CH3COO]- 429.394921 220.4
[M+Na-2H]- 391.355736 202.6
[M]+ 370.38052142 213.9
[M]- 370.38161858 213.9
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