CID 86767538

N-[1-(pyrrolidin-3-yl)-1h-pyrazol-3-yl]acetamide dihydrochloride

Structural Information

Molecular Formula
C9H14N4O
SMILES
CC(=O)NC1=NN(C=C1)C2CCNC2
InChI
InChI=1S/C9H14N4O/c1-7(14)11-9-3-5-13(12-9)8-2-4-10-6-8/h3,5,8,10H,2,4,6H2,1H3,(H,11,12,14)
InChIKey
BOMVJDFMYCFJGE-UHFFFAOYSA-N
Compound name
N-(1-pyrrolidin-3-ylpyrazol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.11676 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.124036 143.4
[M+Na]+ 217.105978 149.4
[M-H]- 193.109484 144.9
[M+NH4]+ 212.150583 161.0
[M+K]+ 233.079918 147.2
[M+H-H2O]+ 177.114020 134.8
[M+HCOO]- 239.114961 163.2
[M+CH3COO]- 253.130611 181.0
[M+Na-2H]- 215.091426 145.0
[M]+ 194.11621142 138.9
[M]- 194.11730858 138.9
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.