CID 91887

56484-15-2

Structural Information

Molecular Formula
C16H30N2O3
SMILES
CCCCCCCCC1=NCCN1CCOCCC(=O)O
InChI
InChI=1S/C16H30N2O3/c1-2-3-4-5-6-7-8-15-17-10-11-18(15)12-14-21-13-9-16(19)20/h2-14H2,1H3,(H,19,20)
InChIKey
GTOUXEVZWXDTJR-UHFFFAOYSA-N
Compound name
3-[2-(2-octyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.22565 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.23293 176.4
[M+Na]+ 321.21487 183.5
[M+NH4]+ 316.25947 180.8
[M+K]+ 337.18881 179.5
[M-H]- 297.21837 174.1
[M+Na-2H]- 319.20032 176.8
[M]+ 298.22510 176.2
[M]- 298.22620 176.2
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.