CID 105386

66810-88-6

Structural Information

Molecular Formula
C22H45NO3
SMILES
CCCCCCCCCCCCCCCCCCN(CCO)CC(=O)O
InChI
InChI=1S/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-20-24)21-22(25)26/h24H,2-21H2,1H3,(H,25,26)
InChIKey
DTHMQQOATHKDNI-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl(octadecyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

371.33994 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.34722 203.8
[M+Na]+ 394.32916 202.7
[M-H]- 370.33266 199.5
[M+NH4]+ 389.37376 214.9
[M+K]+ 410.30310 199.2
[M+H-H2O]+ 354.33720 195.7
[M+HCOO]- 416.33814 220.6
[M+CH3COO]- 430.35379 223.9
[M+Na-2H]- 392.31461 199.6
[M]+ 371.33939 210.7
[M]- 371.34049 210.7
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