CID 22447558

5-methyl-2-(5-methyl-1h-imidazole-2-carbonyl)-1h-imidazole

Structural Information

Molecular Formula
C9H10N4O
SMILES
CC1=CN=C(N1)C(=O)C2=NC=C(N2)C
InChI
InChI=1S/C9H10N4O/c1-5-3-10-8(12-5)7(14)9-11-4-6(2)13-9/h3-4H,1-2H3,(H,10,12)(H,11,13)
InChIKey
RPHNOTDRBMNATD-UHFFFAOYSA-N
Compound name
bis(5-methyl-1H-imidazol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

190.08546 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09274 140.0
[M+Na]+ 213.07468 150.5
[M-H]- 189.07818 140.3
[M+NH4]+ 208.11928 156.5
[M+K]+ 229.04862 146.5
[M+H-H2O]+ 173.08272 131.7
[M+HCOO]- 235.08366 160.1
[M+CH3COO]- 249.09931 152.5
[M+Na-2H]- 211.06013 142.6
[M]+ 190.08491 139.6
[M]- 190.08601 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe