CID 114312

Einecs 264-502-3

Structural Information

Molecular Formula
C22H45NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCNCCO
InChI
InChI=1S/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)26-21-19-23-18-20-24/h23-24H,2-21H2,1H3
InChIKey
QZEJJPSZCXBLAI-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylamino)ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

371.33994 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.34722 202.7
[M+Na]+ 394.32916 201.9
[M-H]- 370.33266 198.4
[M+NH4]+ 389.37376 214.0
[M+K]+ 410.30310 197.9
[M+H-H2O]+ 354.33720 194.5
[M+HCOO]- 416.33814 220.6
[M+CH3COO]- 430.35379 222.5
[M+Na-2H]- 392.31461 199.9
[M]+ 371.33939 210.2
[M]- 371.34049 210.2
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