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 138.3
[M+Na]+ 203.09032 147.3
[M-H]- 179.09382 141.4
[M+NH4]+ 198.13492 157.5
[M+K]+ 219.06426 145.2
[M+H-H2O]+ 163.09836 130.3
[M+HCOO]- 225.09930 160.2
[M+CH3COO]- 239.11495 182.0
[M+Na-2H]- 201.07577 139.6
[M]+ 180.10055 135.8
[M]- 180.10165 135.8
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.