CID 14210773

3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one hydrochloride

Structural Information

Molecular Formula
C8H16N2O2
SMILES
C1CN(CCC1O)C(=O)CCN
InChI
InChI=1S/C8H16N2O2/c9-4-1-8(12)10-5-2-7(11)3-6-10/h7,11H,1-6,9H2
InChIKey
RHTAWPNTXLQHFC-UHFFFAOYSA-N
Compound name
3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

172.12119 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 139.7
[M+Na]+ 195.11041 144.1
[M-H]- 171.11391 139.3
[M+NH4]+ 190.15501 157.3
[M+K]+ 211.08435 142.6
[M+H-H2O]+ 155.11845 133.2
[M+HCOO]- 217.11939 157.4
[M+CH3COO]- 231.13504 178.2
[M+Na-2H]- 193.09586 142.2
[M]+ 172.12064 133.6
[M]- 172.12174 133.6
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