CID 23162525

2230802-98-7

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CC(C)N1C=NC=C1C(=O)O

InChI

InChI=1S/C7H10N2O2/c1-5(2)9-4-8-3-6(9)7(10)11/h3-5H,1-2H3,(H,10,11)

InChIKey

YNVHXICSOWGFDO-UHFFFAOYSA-N

Compound name

3-propan-2-ylimidazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 154.07423 Da
Monoisotopic Mass: 0.6
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]+	155.08151	131.4
[M+Na]+	177.06345	139.8
[M-H]-	153.06695	131.4
[M+NH4]+	172.10805	150.9
[M+K]+	193.03739	138.9
[M+H-H2O]+	137.07149	124.9
[M+HCOO]-	199.07243	151.9
[M+CH3COO]-	213.08808	174.1
[M+Na-2H]-	175.04890	134.6
[M]+	154.07368	131.7
[M]-	154.07478	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe