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

67
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 208.5
[M+Na]+ 408.34482 207.5
[M-H]- 384.34832 205.6
[M+NH4]+ 403.38942 219.3
[M+K]+ 424.31876 204.7
[M+H-H2O]+ 368.35286 200.1
[M+HCOO]- 430.35380 226.9
[M+CH3COO]- 444.36945 228.7
[M+Na-2H]- 406.33027 204.3
[M]+ 385.35505 217.7
[M]- 385.35615 217.7
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