CID 9815232

Chembl313127

Structural Information

Molecular Formula
C8H13N3
SMILES
C[C@H]1CNC[C@@H]1C2=CN=CN2
InChI
InChI=1S/C8H13N3/c1-6-2-9-3-7(6)8-4-10-5-11-8/h4-7,9H,2-3H2,1H3,(H,10,11)/t6-,7-/m0/s1
InChIKey
KTEPQLOOQDLKHF-BQBZGAKWSA-N
Compound name
5-[(3R,4R)-4-methylpyrrolidin-3-yl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

151.11095 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 133.9
[M+Na]+ 174.10017 143.7
[M+NH4]+ 169.14477 141.6
[M+K]+ 190.07411 142.1
[M-H]- 150.10367 134.4
[M+Na-2H]- 172.08562 138.8
[M]+ 151.11040 135.1
[M]- 151.11150 135.1
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