CID 106479

2-(2-hydroxyethylamino)ethyl 10-undecylenate

Structural Information

Molecular Formula
C15H29NO3
SMILES
C=CCCCCCCCCC(=O)OCCNCCO
InChI
InChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-15(18)19-14-12-16-11-13-17/h2,16-17H,1,3-14H2
InChIKey
QGUJFAXHAPVMQZ-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylamino)ethyl undec-10-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.21475 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.222026 170.6
[M+Na]+ 294.203968 173.0
[M-H]- 270.207474 167.7
[M+NH4]+ 289.248573 185.9
[M+K]+ 310.177908 170.2
[M+H-H2O]+ 254.212010 163.8
[M+HCOO]- 316.212951 191.0
[M+CH3COO]- 330.228601 200.9
[M+Na-2H]- 292.189416 171.4
[M]+ 271.21420142 174.7
[M]- 271.21529858 174.7
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.