CID 170760

45296-12-6

Structural Information

Molecular Formula
C24H47NO2
SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCCN(CC)CC
InChI
InChI=1S/C24H47NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25(5-2)6-3/h13-14H,4-12,15-23H2,1-3H3
InChIKey
VWTYZZXUXJVLIO-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

381.3607 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.36798 208.9
[M+Na]+ 404.34992 208.4
[M-H]- 380.35342 207.3
[M+NH4]+ 399.39452 221.2
[M+K]+ 420.32386 205.0
[M+H-H2O]+ 364.35796 200.4
[M+HCOO]- 426.35890 228.1
[M+CH3COO]- 440.37455 231.0
[M+Na-2H]- 402.33537 204.6
[M]+ 381.36015 218.1
[M]- 381.36125 218.1
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

patents stripe