CID 537559

Isopropyl 1h-imidazole-1-carboxylate

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CC(C)OC(=O)N1C=CN=C1

InChI

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

InChIKey

UAILNBAKJABHNQ-UHFFFAOYSA-N

Compound name

propan-2-yl imidazole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 154.07423 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]+	155.08151	132.3
[M+Na]+	177.06345	142.5
[M+NH4]+	172.10805	139.1
[M+K]+	193.03739	140.3
[M-H]-	153.06695	131.3
[M+Na-2H]-	175.04890	136.9
[M]+	154.07368	133.1
[M]-	154.07478	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe