CID 4594484

1-methyl-2-(1-methyl-1h-imidazole-2-carbonyl)-1h-imidazole

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

42
Patents

190.08546 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.092736 138.3
[M+Na]+ 213.074678 149.7
[M-H]- 189.078184 141.3
[M+NH4]+ 208.119283 156.3
[M+K]+ 229.048618 147.4
[M+H-H2O]+ 173.082720 129.6
[M+HCOO]- 235.083661 161.4
[M+CH3COO]- 249.099311 182.6
[M+Na-2H]- 211.060126 141.8
[M]+ 190.08491142 141.6
[M]- 190.08600858 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe