CID 6432913

1-aminobutyl oleate

Structural Information

Molecular Formula
C22H43NO2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC(CCC)N
InChI
InChI=1S/C22H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22(24)25-21(23)19-4-2/h11-12,21H,3-10,13-20,23H2,1-2H3/b12-11-
InChIKey
SBJNWEHQBBAMQJ-QXMHVHEDSA-N
Compound name
1-aminobutyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

353.32938 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.33666 197.7
[M+Na]+ 376.31860 202.8
[M+NH4]+ 371.36320 201.7
[M+K]+ 392.29254 195.2
[M-H]- 352.32210 195.6
[M+Na-2H]- 374.30405 195.9
[M]+ 353.32883 197.3
[M]- 353.32993 197.3
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