CID 222583

3-ethyl-3-eicosanol

Structural Information

Molecular Formula
C22H46O
SMILES
CCCCCCCCCCCCCCCCCC(CC)(CC)O
InChI
InChI=1S/C22H46O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23,5-2)6-3/h23H,4-21H2,1-3H3
InChIKey
ZKYVINLQIWFWEM-UHFFFAOYSA-N
Compound name
3-ethylicosan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

326.35486 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.362136 195.3
[M+Na]+ 349.344078 195.9
[M-H]- 325.347584 191.4
[M+NH4]+ 344.388683 209.2
[M+K]+ 365.318018 191.4
[M+H-H2O]+ 309.352120 188.7
[M+HCOO]- 371.353061 210.9
[M+CH3COO]- 385.368711 215.1
[M+Na-2H]- 347.329526 194.0
[M]+ 326.35431142 201.7
[M]- 326.35540858 201.7
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

patents stripe