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
2
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]+ 285.21728 172.2
[M+Na]+ 307.19922 176.6
[M-H]- 283.20272 169.2
[M+NH4]+ 302.24382 185.9
[M+K]+ 323.17316 173.2
[M+H-H2O]+ 267.20726 164.4
[M+HCOO]- 329.20820 188.2
[M+CH3COO]- 343.22385 198.3
[M+Na-2H]- 305.18467 170.3
[M]+ 284.20945 174.5
[M]- 284.21055 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.