CID 111344

68630-95-5

Structural Information

Molecular Formula
C15H28N2O3
SMILES
CCCCCCCC1N(C=CN1CCO)CCC(=O)O
InChI
InChI=1S/C15H28N2O3/c1-2-3-4-5-6-7-14-16(9-8-15(19)20)10-11-17(14)12-13-18/h10-11,14,18H,2-9,12-13H2,1H3,(H,19,20)
InChIKey
PKYRVPMDYKEHGS-UHFFFAOYSA-N
Compound name
3-[2-heptyl-3-(2-hydroxyethyl)-2H-imidazol-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

284.21 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.217276 172.2
[M+Na]+ 307.199218 176.6
[M-H]- 283.202724 169.2
[M+NH4]+ 302.243823 185.9
[M+K]+ 323.173158 173.2
[M+H-H2O]+ 267.207260 164.4
[M+HCOO]- 329.208201 188.2
[M+CH3COO]- 343.223851 198.3
[M+Na-2H]- 305.184666 170.3
[M]+ 284.20945142 174.5
[M]- 284.21054858 174.5
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.