CID 112223

X628qy2cze

Structural Information

Molecular Formula
C14H27N2O3
SMILES
CCCCCCC1=[N+](CCN1CCC(=O)O)CCO
InChI
InChI=1S/C14H26N2O3/c1-2-3-4-5-6-13-15(8-7-14(18)19)9-10-16(13)11-12-17/h17H,2-12H2,1H3/p+1
InChIKey
QQMSEIJLXRNKTA-UHFFFAOYSA-O
Compound name
3-[2-hexyl-3-(2-hydroxyethyl)-4,5-dihydroimidazol-3-ium-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.20218 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20946 166.1
[M+Na]+ 294.19140 175.5
[M+NH4]+ 289.23600 171.7
[M+K]+ 310.16534 173.2
[M-H]- 270.19490 165.2
[M+Na-2H]- 292.17685 167.3
[M]+ 271.20163 167.0
[M]- 271.20273 167.0
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.