CID 43535320

4-amino-1-(1-methyl-1h-pyrazol-4-yl)pyrrolidin-2-one dihydrochloride

Structural Information

Molecular Formula
C8H12N4O
SMILES
CN1C=C(C=N1)N2CC(CC2=O)N
InChI
InChI=1S/C8H12N4O/c1-11-5-7(3-10-11)12-4-6(9)2-8(12)13/h3,5-6H,2,4,9H2,1H3
InChIKey
ZGHJDLZFQKKPKU-UHFFFAOYSA-N
Compound name
4-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.1011 Da
Monoisotopic Mass

-1.6
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.

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No literature data available for this compound.

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No patent data available for this compound.