CID 454104

9(2imidazol)non acid

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₂

SMILES

C1=CN=C(N1)CCCCCCCCC(=O)O

InChI

InChI=1S/C12H20N2O2/c15-12(16)8-6-4-2-1-3-5-7-11-13-9-10-14-11/h9-10H,1-8H2,(H,13,14)(H,15,16)

InChIKey

QZGGAKDKYNHSGK-UHFFFAOYSA-N

Compound name

9-(1H-imidazol-2-yl)nonanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 224.15248 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	225.15976	154.9
[M+Na]+	247.14170	159.9
[M-H]-	223.14520	152.1
[M+NH4]+	242.18630	170.6
[M+K]+	263.11564	156.5
[M+H-H2O]+	207.14974	147.1
[M+HCOO]-	269.15068	173.2
[M+CH3COO]-	283.16633	184.5
[M+Na-2H]-	245.12715	156.8
[M]+	224.15193	155.3
[M]-	224.15303	155.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.