CID 18672810

Schembl115633

Structural Information

Molecular Formula
C20H43NO
SMILES
CCCCCCCCCCCCCCCCCCOCCN
InChI
InChI=1S/C20H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h2-21H2,1H3
InChIKey
XGKSCJRPYZHSLL-UHFFFAOYSA-N
Compound name
2-octadecoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

271
Patents

313.33447 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.341746 189.0
[M+Na]+ 336.323688 189.4
[M-H]- 312.327194 185.9
[M+NH4]+ 331.368293 203.3
[M+K]+ 352.297628 185.6
[M+H-H2O]+ 296.331730 181.2
[M+HCOO]- 358.332671 208.7
[M+CH3COO]- 372.348321 215.5
[M+Na-2H]- 334.309136 187.7
[M]+ 313.33392142 195.2
[M]- 313.33501858 195.2
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