CID 83208

1-eicosanol, hydrogen sulfate

Structural Information

Molecular Formula
C20H42O4S
SMILES
CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O
InChI
InChI=1S/C20H42O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23/h2-20H2,1H3,(H,21,22,23)
InChIKey
DLFKFFZPKVOYJI-UHFFFAOYSA-N
Compound name
icosyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

294
Patents

378.2804 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.28768 197.9
[M+Na]+ 401.26962 199.2
[M-H]- 377.27312 194.2
[M+NH4]+ 396.31422 209.7
[M+K]+ 417.24356 194.4
[M+H-H2O]+ 361.27766 190.6
[M+HCOO]- 423.27860 210.0
[M+CH3COO]- 437.29425 216.7
[M+Na-2H]- 399.25507 195.2
[M]+ 378.27985 208.4
[M]- 378.28095 208.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe