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

182
Patents

284.21 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.21728 171.9
[M+Na]+ 307.19922 175.8
[M-H]- 283.20272 169.9
[M+NH4]+ 302.24382 186.0
[M+K]+ 323.17316 173.3
[M+H-H2O]+ 267.20726 163.5
[M+HCOO]- 329.20820 189.4
[M+CH3COO]- 343.22385 199.6
[M+Na-2H]- 305.18467 171.1
[M]+ 284.20945 175.7
[M]- 284.21055 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