CID 28064100

(r)-5-amino-1-methylpiperidin-2-one

Structural Information

Molecular Formula
C6H12N2O
SMILES
CN1C[C@@H](CCC1=O)N
InChI
InChI=1S/C6H12N2O/c1-8-4-5(7)2-3-6(8)9/h5H,2-4,7H2,1H3/t5-/m1/s1
InChIKey
ABXJTTPAABNOFP-RXMQYKEDSA-N
Compound name
(5R)-5-amino-1-methylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

128.09496 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 126.4
[M+Na]+ 151.084178 133.3
[M-H]- 127.087684 128.1
[M+NH4]+ 146.128783 146.9
[M+K]+ 167.058118 132.2
[M+H-H2O]+ 111.092220 120.5
[M+HCOO]- 173.093161 147.1
[M+CH3COO]- 187.108811 173.5
[M+Na-2H]- 149.069626 131.0
[M]+ 128.09441142 121.1
[M]- 128.09550858 121.1
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.