CID 61297929

1-(3-aminopiperidin-1-yl)-2-methoxyethan-1-one

Structural Information

Molecular Formula
C8H16N2O2
SMILES
COCC(=O)N1CCCC(C1)N
InChI
InChI=1S/C8H16N2O2/c1-12-6-8(11)10-4-2-3-7(9)5-10/h7H,2-6,9H2,1H3
InChIKey
SDPGMRYYMHCQKW-UHFFFAOYSA-N
Compound name
1-(3-aminopiperidin-1-yl)-2-methoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

172.12119 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 139.0
[M+Na]+ 195.11041 143.9
[M-H]- 171.11391 140.0
[M+NH4]+ 190.15501 157.3
[M+K]+ 211.08435 143.3
[M+H-H2O]+ 155.11845 132.3
[M+HCOO]- 217.11939 158.3
[M+CH3COO]- 231.13504 180.7
[M+Na-2H]- 193.09586 142.1
[M]+ 172.12064 134.8
[M]- 172.12174 134.8
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

patents stripe