CID 105213

42852-72-2

Structural Information

Molecular Formula
C18H35N2O3
SMILES
CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O
InChI
InChI=1S/C18H34N2O3/c1-2-3-4-5-6-7-8-9-10-11-17-19-12-13-20(17,14-15-21)16-18(22)23/h21H,2-16H2,1H3/p+1
InChIKey
FWIJLRSOBQIWFM-UHFFFAOYSA-O
Compound name
2-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5114
Patents

327.26477 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.27205 182.8
[M+Na]+ 350.25399 191.4
[M+NH4]+ 345.29859 189.4
[M+K]+ 366.22793 185.9
[M-H]- 326.25749 181.9
[M+Na-2H]- 348.23944 185.0
[M]+ 327.26422 183.8
[M]- 327.26532 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe