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]+ 209.139696 147.6
[M+Na]+ 231.121638 157.6
[M-H]- 207.125144 151.2
[M+NH4]+ 226.166243 166.3
[M+K]+ 247.095578 154.9
[M+H-H2O]+ 191.129680 140.0
[M+HCOO]- 253.130621 168.8
[M+CH3COO]- 267.146271 190.4
[M+Na-2H]- 229.107086 146.4
[M]+ 208.13187142 146.6
[M]- 208.13296858 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.