CID 111678

1-(carboxyethoxyethyl)-2-heptyl-2-imidazoline

Structural Information

Molecular Formula
C15H28N2O3
SMILES
CCCCCCCC1=NCCN1CCOCCC(=O)O
InChI
InChI=1S/C15H28N2O3/c1-2-3-4-5-6-7-14-16-9-10-17(14)11-13-20-12-8-15(18)19/h2-13H2,1H3,(H,18,19)
InChIKey
MWOOKWLIWHVLTJ-UHFFFAOYSA-N
Compound name
3-[2-(2-heptyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

140
Patents

284.21 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.217276 171.9
[M+Na]+ 307.199218 175.8
[M-H]- 283.202724 169.9
[M+NH4]+ 302.243823 186.0
[M+K]+ 323.173158 173.3
[M+H-H2O]+ 267.207260 163.5
[M+HCOO]- 329.208201 189.4
[M+CH3COO]- 343.223851 199.6
[M+Na-2H]- 305.184666 171.1
[M]+ 284.20945142 175.7
[M]- 284.21054858 175.7
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

patents stripe