CID 111678

63451-23-0

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
2
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 172.0
[M+Na]+ 307.19922 179.3
[M+NH4]+ 302.24382 176.6
[M+K]+ 323.17316 175.6
[M-H]- 283.20272 169.8
[M+Na-2H]- 305.18467 172.7
[M]+ 284.20945 171.9
[M]- 284.21055 171.9
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