CID 77318823

2-(pyrrolidin-3-yl)-1h-imidazole dihydrochloride

Structural Information

Molecular Formula
C7H11N3
SMILES
C1CNCC1C2=NC=CN2
InChI
InChI=1S/C7H11N3/c1-2-8-5-6(1)7-9-3-4-10-7/h3-4,6,8H,1-2,5H2,(H,9,10)
InChIKey
MFPWCWPABOEDFM-UHFFFAOYSA-N
Compound name
2-pyrrolidin-3-yl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.09529 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.102566 129.1
[M+Na]+ 160.084508 135.6
[M-H]- 136.088014 128.9
[M+NH4]+ 155.129113 148.4
[M+K]+ 176.058448 132.8
[M+H-H2O]+ 120.092550 121.0
[M+HCOO]- 182.093491 147.5
[M+CH3COO]- 196.109141 141.0
[M+Na-2H]- 158.069956 132.4
[M]+ 137.09474142 122.3
[M]- 137.09583858 122.3
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.