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]+ 181.108376 138.3
[M+Na]+ 203.090318 147.3
[M-H]- 179.093824 141.4
[M+NH4]+ 198.134923 157.5
[M+K]+ 219.064258 145.2
[M+H-H2O]+ 163.098360 130.3
[M+HCOO]- 225.099301 160.2
[M+CH3COO]- 239.114951 182.0
[M+Na-2H]- 201.075766 139.6
[M]+ 180.10055142 135.8
[M]- 180.10164858 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.