CID 39869052

865998-45-4

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂

SMILES

CCOC(=O)C1=NC=CN1CC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O2/c1-2-17-13(16)12-14-8-9-15(12)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3

InChIKey

IKHCKQVOPBTOEG-UHFFFAOYSA-N

Compound name

ethyl 1-benzylimidazole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 230.10553 Da
Monoisotopic Mass: 2.2
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]+	231.11281	152.2
[M+Na]+	253.09475	165.0
[M+NH4]+	248.13935	159.5
[M+K]+	269.06869	160.3
[M-H]-	229.09825	154.3
[M+Na-2H]-	251.08020	159.8
[M]+	230.10498	154.5
[M]-	230.10608	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe