CID 55288204

5-(pyrrolidin-2-yl)-1h-imidazole dihydrochloride

Structural Information

Molecular Formula
C7H11N3
SMILES
C1CC(NC1)C2=CN=CN2
InChI
InChI=1S/C7H11N3/c1-2-6(9-3-1)7-4-8-5-10-7/h4-6,9H,1-3H2,(H,8,10)
InChIKey
JRZJWCWBMRUACS-UHFFFAOYSA-N
Compound name
5-pyrrolidin-2-yl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

137.09529 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.10257 129.8
[M+Na]+ 160.08451 139.4
[M+NH4]+ 155.12911 137.5
[M+K]+ 176.05845 137.7
[M-H]- 136.08801 130.2
[M+Na-2H]- 158.06996 135.1
[M]+ 137.09474 130.8
[M]- 137.09584 130.8
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