CID 56828034

1354950-73-4

Structural Information

Molecular Formula
C10H16N4O
SMILES
CC1=NN(C(=C1)N2CCCC(C2=O)N)C
InChI
InChI=1S/C10H16N4O/c1-7-6-9(13(2)12-7)14-5-3-4-8(11)10(14)15/h6,8H,3-5,11H2,1-2H3
InChIKey
HRUGBDOZVXLAIU-UHFFFAOYSA-N
Compound name
3-amino-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13242 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13970 148.5
[M+Na]+ 231.12164 156.9
[M-H]- 207.12514 151.2
[M+NH4]+ 226.16624 165.1
[M+K]+ 247.09558 153.8
[M+H-H2O]+ 191.12968 140.1
[M+HCOO]- 253.13062 167.5
[M+CH3COO]- 267.14627 189.2
[M+Na-2H]- 229.10709 149.5
[M]+ 208.13187 144.9
[M]- 208.13297 144.9
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.