CID 20833779

71685-98-8

Structural Information

Molecular Formula
C21H39NO2
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(C)N
InChI
InChI=1S/C21H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h7-8,10-11,20H,3-6,9,12-19,22H2,1-2H3/b8-7-,11-10-
InChIKey
TZKLETZQFBNKFN-NQLNTKRDSA-N
Compound name
2-aminopropyl (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

337.29807 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.30535 194.6
[M+Na]+ 360.28729 195.3
[M-H]- 336.29079 191.8
[M+NH4]+ 355.33189 207.8
[M+K]+ 376.26123 190.9
[M+H-H2O]+ 320.29533 187.1
[M+HCOO]- 382.29627 213.0
[M+CH3COO]- 396.31192 217.4
[M+Na-2H]- 358.27274 190.4
[M]+ 337.29752 199.0
[M]- 337.29862 199.0
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.