CID 56807128

3-amino-5-methyl-1-(1-methyl-1h-pyrazol-4-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C9H14N4O
SMILES
CC1CC(C(=O)N1C2=CN(N=C2)C)N
InChI
InChI=1S/C9H14N4O/c1-6-3-8(10)9(14)13(6)7-4-11-12(2)5-7/h4-6,8H,3,10H2,1-2H3
InChIKey
LPSKUALHJMUVSH-UHFFFAOYSA-N
Compound name
3-amino-5-methyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.11676 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.12404 143.0
[M+Na]+ 217.10598 152.5
[M-H]- 193.10948 146.4
[M+NH4]+ 212.15058 162.0
[M+K]+ 233.07992 150.1
[M+H-H2O]+ 177.11402 135.2
[M+HCOO]- 239.11496 164.6
[M+CH3COO]- 253.13061 186.2
[M+Na-2H]- 215.09143 143.1
[M]+ 194.11621 141.2
[M]- 194.11731 141.2
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.