CID 114308

63833-73-8

Structural Information

Molecular Formula
C23H47NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCN(C)CCO
InChI
InChI=1S/C23H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-22-20-24(2)19-21-25/h25H,3-22H2,1-2H3
InChIKey
APOJFXVGPPNEEB-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl(methyl)amino]ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

65
Patents

385.3556 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.36288 205.2
[M+Na]+ 408.34482 209.9
[M+NH4]+ 403.38942 220.5
[M+K]+ 424.31876 202.4
[M-H]- 384.34832 203.0
[M+Na-2H]- 406.33027 203.3
[M]+ 385.35505 204.7
[M]- 385.35615 204.7
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

patents stripe