CID 54594097

3-amino-1-(1-methyl-1h-pyrazol-3-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C8H12N4O
SMILES
CN1C=CC(=N1)N2CCC(C2=O)N
InChI
InChI=1S/C8H12N4O/c1-11-4-3-7(10-11)12-5-2-6(9)8(12)13/h3-4,6H,2,5,9H2,1H3
InChIKey
ZDAJYANVWRSSAH-UHFFFAOYSA-N
Compound name
3-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.1011 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10838 139.0
[M+Na]+ 203.09032 148.6
[M+NH4]+ 198.13492 145.8
[M+K]+ 219.06426 147.9
[M-H]- 179.09382 139.9
[M+Na-2H]- 201.07577 143.3
[M]+ 180.10055 140.1
[M]- 180.10165 140.1
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.