CID 68263

530-62-1

Structural Information

Molecular Formula
C7H6N4O
SMILES
C1=CN(C=N1)C(=O)N2C=CN=C2
InChI
InChI=1S/C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H
InChIKey
PFKFTWBEEFSNDU-UHFFFAOYSA-N
Compound name
di(imidazol-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

233
References

101089
Patents

162.05415 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06143 129.8
[M+Na]+ 185.04337 140.3
[M-H]- 161.04687 132.3
[M+NH4]+ 180.08797 148.3
[M+K]+ 201.01731 138.8
[M+H-H2O]+ 145.05141 120.7
[M+HCOO]- 207.05235 153.5
[M+CH3COO]- 221.06800 143.9
[M+Na-2H]- 183.02882 135.7
[M]+ 162.05360 131.4
[M]- 162.05470 131.4
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