CID 66889181

21149-99-5

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

CCOC(=O)C(C)(C)C1=CN=CN1

InChI

InChI=1S/C9H14N2O2/c1-4-13-8(12)9(2,3)7-5-10-6-11-7/h5-6H,4H2,1-3H3,(H,10,11)

InChIKey

HVFILKSYPCMSEL-UHFFFAOYSA-N

Compound name

ethyl 2-(1H-imidazol-5-yl)-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 182.10553 Da
Monoisotopic Mass: 1.2
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]+	183.112806	141.6
[M+Na]+	205.094748	148.9
[M-H]-	181.098254	141.2
[M+NH4]+	200.139353	159.9
[M+K]+	221.068688	147.5
[M+H-H2O]+	165.102790	135.1
[M+HCOO]-	227.103731	160.8
[M+CH3COO]-	241.119381	177.7
[M+Na-2H]-	203.080196	146.4
[M]+	182.10498142	142.2
[M]-	182.10607858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe