CID 79583778

Rac-(4r,5s)-4-amino-5-(1,5-dimethyl-1h-pyrazol-4-yl)-1-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C10H16N4O
SMILES
CC1=C(C=NN1C)C2C(CC(=O)N2C)N
InChI
InChI=1S/C10H16N4O/c1-6-7(5-12-14(6)3)10-8(11)4-9(15)13(10)2/h5,8,10H,4,11H2,1-3H3
InChIKey
FTAWOBCECQLSRI-UHFFFAOYSA-N
Compound name
4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13242 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13970 147.6
[M+Na]+ 231.12164 157.6
[M-H]- 207.12514 151.2
[M+NH4]+ 226.16624 166.3
[M+K]+ 247.09558 154.9
[M+H-H2O]+ 191.12968 140.0
[M+HCOO]- 253.13062 168.8
[M+CH3COO]- 267.14627 190.4
[M+Na-2H]- 229.10709 146.4
[M]+ 208.13187 146.6
[M]- 208.13297 146.6
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.