CID 75525015

Rac-(5r,6s)-5-amino-6-(1-methyl-1h-pyrazol-4-yl)piperidin-2-one

Structural Information

Molecular Formula
C9H14N4O
SMILES
CN1C=C(C=N1)[C@H]2[C@@H](CCC(=O)N2)N
InChI
InChI=1S/C9H14N4O/c1-13-5-6(4-11-13)9-7(10)2-3-8(14)12-9/h4-5,7,9H,2-3,10H2,1H3,(H,12,14)/t7-,9+/m1/s1
InChIKey
RCGVCIKWTUKRDV-APPZFPTMSA-N
Compound name
(5R,6S)-5-amino-6-(1-methylpyrazol-4-yl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.11676 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.12404 144.4
[M+Na]+ 217.10598 151.9
[M-H]- 193.10948 145.4
[M+NH4]+ 212.15058 160.5
[M+K]+ 233.07992 148.1
[M+H-H2O]+ 177.11402 136.1
[M+HCOO]- 239.11496 162.3
[M+CH3COO]- 253.13061 182.6
[M+Na-2H]- 215.09143 146.2
[M]+ 194.11621 138.1
[M]- 194.11731 138.1
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.