CID 4594484

62366-40-9

Structural Information

Molecular Formula

C₉H₁₀N₄O

SMILES

CN1C=CN=C1C(=O)C2=NC=CN2C

InChI

InChI=1S/C9H10N4O/c1-12-5-3-10-8(12)7(14)9-11-4-6-13(9)2/h3-6H,1-2H3

InChIKey

BBDFYGQFWQRHFH-UHFFFAOYSA-N

Compound name

bis(1-methylimidazol-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 190.08546 Da
Monoisotopic Mass: 0.1
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]+	191.09274	139.2
[M+Na]+	213.07468	152.0
[M+NH4]+	208.11928	145.7
[M+K]+	229.04862	150.8
[M-H]-	189.07818	139.6
[M+Na-2H]-	211.06013	146.2
[M]+	190.08491	140.9
[M]-	190.08601	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe