CID 719806

13551-83-2

Structural Information

Molecular Formula

C₉H₁₀N₄O

SMILES

CC1=NC=CN1C(=O)N2C=CN=C2C

InChI

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

InChIKey

XMFCLBUQBWFZBP-UHFFFAOYSA-N

Compound name

bis(2-methylimidazol-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1548
Patents: 190.08546 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]+	191.09274	138.9
[M+Na]+	213.07468	150.4
[M-H]-	189.07818	142.0
[M+NH4]+	208.11928	157.0
[M+K]+	229.04862	148.2
[M+H-H2O]+	173.08272	130.2
[M+HCOO]-	235.08366	162.0
[M+CH3COO]-	249.09931	181.3
[M+Na-2H]-	211.06013	142.4
[M]+	190.08491	142.0
[M]-	190.08601	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe