CID 84710

68647-44-9

Structural Information

Molecular Formula
C18H35N2O3
SMILES
CCCCCCCCCCCC1=[N+](CCN1CCO)CC(=O)O
InChI
InChI=1S/C18H34N2O3/c1-2-3-4-5-6-7-8-9-10-11-17-19(14-15-21)12-13-20(17)16-18(22)23/h21H,2-16H2,1H3/p+1
InChIKey
SIUQYBAOZRAJQY-UHFFFAOYSA-O
Compound name
2-[3-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

327.26477 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.27205 183.7
[M+Na]+ 350.25399 192.3
[M+NH4]+ 345.29859 188.6
[M+K]+ 366.22793 189.0
[M-H]- 326.25749 182.7
[M+Na-2H]- 348.23944 183.8
[M]+ 327.26422 184.4
[M]- 327.26532 184.4
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.