CID 43612091

1258640-27-5

Structural Information

Molecular Formula
C13H15N3
SMILES
C1CC(NC1)C2=NC=C(N2)C3=CC=CC=C3
InChI
InChI=1S/C13H15N3/c1-2-5-10(6-3-1)12-9-15-13(16-12)11-7-4-8-14-11/h1-3,5-6,9,11,14H,4,7-8H2,(H,15,16)
InChIKey
VDUOVBVLPCYKNE-UHFFFAOYSA-N
Compound name
5-phenyl-2-pyrrolidin-2-yl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

213.1266 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.133876 147.7
[M+Na]+ 236.115818 153.9
[M-H]- 212.119324 150.8
[M+NH4]+ 231.160423 163.8
[M+K]+ 252.089758 148.6
[M+H-H2O]+ 196.123860 138.5
[M+HCOO]- 258.124801 165.6
[M+CH3COO]- 272.140451 158.5
[M+Na-2H]- 234.101266 149.4
[M]+ 213.12605142 141.0
[M]- 213.12714858 141.0
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