CID 78967896

1955474-39-1

Structural Information

Molecular Formula

C₈H₁₃N₃O

SMILES

COC1CC(NC1)C2=NC=CN2

InChI

InChI=1S/C8H13N3O/c1-12-6-4-7(11-5-6)8-9-2-3-10-8/h2-3,6-7,11H,4-5H2,1H3,(H,9,10)

InChIKey

ISPKAKJVQQMQMU-UHFFFAOYSA-N

Compound name

2-(4-methoxypyrrolidin-2-yl)-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.10587 Da
Monoisotopic Mass: -0.4
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]+	168.113146	136.6
[M+Na]+	190.095088	143.4
[M-H]-	166.098594	136.6
[M+NH4]+	185.139693	154.9
[M+K]+	206.069028	140.8
[M+H-H2O]+	150.103130	128.5
[M+HCOO]-	212.104071	154.8
[M+CH3COO]-	226.119721	148.2
[M+Na-2H]-	188.080536	138.7
[M]+	167.10532142	131.9
[M]-	167.10641858	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.