CID 6436599

2-aminoethyl oleate

Structural Information

Molecular Formula
C20H39NO2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCN
InChI
InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h9-10H,2-8,11-19,21H2,1H3/b10-9-
InChIKey
VPHOSDZKGZRSAI-KTKRTIGZSA-N
Compound name
2-aminoethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

47
Patents

325.29807 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.305346 190.5
[M+Na]+ 348.287288 191.5
[M-H]- 324.290794 187.7
[M+NH4]+ 343.331893 204.2
[M+K]+ 364.261228 187.4
[M+H-H2O]+ 308.295330 182.9
[M+HCOO]- 370.296271 210.0
[M+CH3COO]- 384.311921 215.1
[M+Na-2H]- 346.272736 188.1
[M]+ 325.29752142 195.9
[M]- 325.29861858 195.9
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