CID 113226

1-(2-(2-carboxyethoxy)ethyl)-2-nonyl-2-imidazoline

Structural Information

Molecular Formula
C17H32N2O3
SMILES
CCCCCCCCCC1=NCCN1CCOCCC(=O)O
InChI
InChI=1S/C17H32N2O3/c1-2-3-4-5-6-7-8-9-16-18-11-12-19(16)13-15-22-14-10-17(20)21/h2-15H2,1H3,(H,20,21)
InChIKey
ZSFQBACWJYFLKS-UHFFFAOYSA-N
Compound name
3-[2-(2-nonyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.2413 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.24858 180.7
[M+Na]+ 335.23052 183.8
[M-H]- 311.23402 178.3
[M+NH4]+ 330.27512 193.6
[M+K]+ 351.20446 180.7
[M+H-H2O]+ 295.23856 171.9
[M+HCOO]- 357.23950 197.5
[M+CH3COO]- 371.25515 205.5
[M+Na-2H]- 333.21597 178.9
[M]+ 312.24075 185.2
[M]- 312.24185 185.2
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.