CID 22055225

714273-88-8

Structural Information

Molecular Formula

C₈H₁₂N₂O₂

SMILES

CC(C)(C)C1=C(N=CN1)C(=O)O

InChI

InChI=1S/C8H12N2O2/c1-8(2,3)6-5(7(11)12)9-4-10-6/h4H,1-3H3,(H,9,10)(H,11,12)

InChIKey

CHZBPWFTYFOPMN-UHFFFAOYSA-N

Compound name

5-tert-butyl-1H-imidazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 168.08987 Da
Monoisotopic Mass: 1.6
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	136.8
[M+Na]+	191.07909	146.1
[M+NH4]+	186.12369	142.7
[M+K]+	207.05303	145.0
[M-H]-	167.08259	134.4
[M+Na-2H]-	189.06454	140.0
[M]+	168.08932	137.1
[M]-	168.09042	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe