CID 21118883

Ns00063619

Structural Information

Molecular Formula
C14H28N2O3
SMILES
CCCCCCC1N(CCN1CCO)CCC(=O)O
InChI
InChI=1S/C14H28N2O3/c1-2-3-4-5-6-13-15(8-7-14(18)19)9-10-16(13)11-12-17/h13,17H,2-12H2,1H3,(H,18,19)
InChIKey
AMOZZGMWMYFPPT-UHFFFAOYSA-N
Compound name
3-[2-hexyl-3-(2-hydroxyethyl)imidazolidin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.21 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.217276 169.6
[M+Na]+ 295.199218 173.4
[M-H]- 271.202724 166.4
[M+NH4]+ 290.243823 183.7
[M+K]+ 311.173158 170.5
[M+H-H2O]+ 255.207260 162.0
[M+HCOO]- 317.208201 184.4
[M+CH3COO]- 331.223851 195.7
[M+Na-2H]- 293.184666 167.2
[M]+ 272.20945142 170.1
[M]- 272.21054858 170.1
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.