CID 3066545

110525-53-6

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂

SMILES

CCOC(=O)CCCN1C=CN=C1C

InChI

InChI=1S/C10H16N2O2/c1-3-14-10(13)5-4-7-12-8-6-11-9(12)2/h6,8H,3-5,7H2,1-2H3

InChIKey

WBOLHIIQVPGIJV-UHFFFAOYSA-N

Compound name

ethyl 4-(2-methylimidazol-1-yl)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 196.12119 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]+	197.12847	145.2
[M+Na]+	219.11041	155.6
[M+NH4]+	214.15501	151.7
[M+K]+	235.08435	152.0
[M-H]-	195.11391	144.4
[M+Na-2H]-	217.09586	149.2
[M]+	196.12064	146.2
[M]-	196.12174	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe