CID 3022932

Ns00014077

Structural Information

Molecular Formula
C20H40N2O3
SMILES
CCCCCCCCCCCCCC1N(CCN1CC(=O)O)CCO
InChI
InChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-21(16-17-23)14-15-22(19)18-20(24)25/h19,23H,2-18H2,1H3,(H,24,25)
InChIKey
KDHCLHULPPOIFW-UHFFFAOYSA-N
Compound name
2-[3-(2-hydroxyethyl)-2-tridecylimidazolidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.3039 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.311176 195.5
[M+Na]+ 379.293118 196.8
[M-H]- 355.296624 191.2
[M+NH4]+ 374.337723 206.2
[M+K]+ 395.267058 192.4
[M+H-H2O]+ 339.301160 186.9
[M+HCOO]- 401.302101 208.4
[M+CH3COO]- 415.317751 213.5
[M+Na-2H]- 377.278566 190.2
[M]+ 356.30335142 198.2
[M]- 356.30444858 198.2
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

No patent data available for this compound.