CID 6484200

2-[2-(propan-2-yl)-1h-imidazol-1-yl]acetic acid

Structural Information

Molecular Formula

C₈H₁₂N₂O₂

SMILES

CC(C)C1=NC=CN1CC(=O)O

InChI

InChI=1S/C8H12N2O2/c1-6(2)8-9-3-4-10(8)5-7(11)12/h3-4,6H,5H2,1-2H3,(H,11,12)

InChIKey

GDYODZVJBGCMLU-UHFFFAOYSA-N

Compound name

2-(2-propan-2-ylimidazol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 168.08987 Da
Monoisotopic Mass: 0.9
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]+	169.09715	136.0
[M+Na]+	191.07909	144.0
[M-H]-	167.08259	135.9
[M+NH4]+	186.12369	155.0
[M+K]+	207.05303	142.9
[M+H-H2O]+	151.08713	129.4
[M+HCOO]-	213.08807	156.2
[M+CH3COO]-	227.10372	177.1
[M+Na-2H]-	189.06454	138.7
[M]+	168.08932	136.7
[M]-	168.09042	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe