CID 125424778

Rac-(5r,6s)-5-(aminomethyl)-1-cyclopropyl-6-(1-methyl-1h-imidazol-2-yl)piperidin-2-one

Structural Information

Molecular Formula
C13H20N4O
SMILES
CN1C=CN=C1[C@@H]2[C@H](CCC(=O)N2C3CC3)CN
InChI
InChI=1S/C13H20N4O/c1-16-7-6-15-13(16)12-9(8-14)2-5-11(18)17(12)10-3-4-10/h6-7,9-10,12H,2-5,8,14H2,1H3/t9-,12+/m1/s1
InChIKey
WNKAFLHNJLTKGO-SKDRFNHKSA-N
Compound name
(5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methylimidazol-2-yl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.16371 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17099 164.9
[M+Na]+ 271.15293 173.9
[M-H]- 247.15643 170.7
[M+NH4]+ 266.19753 175.0
[M+K]+ 287.12687 168.1
[M+H-H2O]+ 231.16097 155.9
[M+HCOO]- 293.16191 183.4
[M+CH3COO]- 307.17756 199.4
[M+Na-2H]- 269.13838 164.3
[M]+ 248.16316 163.4
[M]- 248.16426 163.4
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.