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
3
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 186.6
[M+Na]+ 350.25399 189.7
[M-H]- 326.25749 183.5
[M+NH4]+ 345.29859 198.3
[M+K]+ 366.22793 180.1
[M+H-H2O]+ 310.26203 181.1
[M+HCOO]- 372.26297 201.3
[M+CH3COO]- 386.27862 200.2
[M+Na-2H]- 348.23944 185.9
[M]+ 327.26422 188.6
[M]- 327.26532 188.6
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.