CID 139596631

Ns00095506

Structural Information

Molecular Formula
C20H41NO
SMILES
CCCCCCCCCCC/C=C/CCCCCOCCN
InChI
InChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h12-13H,2-11,14-21H2,1H3/b13-12+
InChIKey
PNRVUQBJSMBDRW-OUKQBFOZSA-N
Compound name
2-[(E)-octadec-6-enoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.31882 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.326096 187.7
[M+Na]+ 334.308038 188.5
[M-H]- 310.311544 184.7
[M+NH4]+ 329.352643 202.0
[M+K]+ 350.281978 184.1
[M+H-H2O]+ 294.316080 180.1
[M+HCOO]- 356.317021 207.6
[M+CH3COO]- 370.332671 214.0
[M+Na-2H]- 332.293486 186.5
[M]+ 311.31827142 193.1
[M]- 311.31936858 193.1
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

No patent data available for this compound.