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]+ 195.12404 143.4
[M+Na]+ 217.10598 149.4
[M-H]- 193.10948 144.9
[M+NH4]+ 212.15058 161.0
[M+K]+ 233.07992 147.2
[M+H-H2O]+ 177.11402 134.8
[M+HCOO]- 239.11496 163.2
[M+CH3COO]- 253.13061 181.0
[M+Na-2H]- 215.09143 145.0
[M]+ 194.11621 138.9
[M]- 194.11731 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.