CID 3007429

Chembl25813

Structural Information

Molecular Formula
C9H12N4
SMILES
CC(C)(N1C=CN=C1)N2C=CN=C2
InChI
InChI=1S/C9H12N4/c1-9(2,12-5-3-10-7-12)13-6-4-11-8-13/h3-8H,1-2H3
InChIKey
LGCCYEOIBJLOLE-UHFFFAOYSA-N
Compound name
1-(2-imidazol-1-ylpropan-2-yl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

176.1062 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11348 137.2
[M+Na]+ 199.09542 147.2
[M-H]- 175.09892 139.5
[M+NH4]+ 194.14002 155.4
[M+K]+ 215.06936 145.2
[M+H-H2O]+ 159.10346 128.4
[M+HCOO]- 221.10440 159.2
[M+CH3COO]- 235.12005 178.8
[M+Na-2H]- 197.08087 143.9
[M]+ 176.10565 139.1
[M]- 176.10675 139.1
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

No patent data available for this compound.