CID 83872879

5-(3-aminopropyl)piperidin-2-one hydrochloride

Structural Information

Molecular Formula
C8H16N2O
SMILES
C1CC(=O)NCC1CCCN
InChI
InChI=1S/C8H16N2O/c9-5-1-2-7-3-4-8(11)10-6-7/h7H,1-6,9H2,(H,10,11)
InChIKey
FRGKQCIHRCRHAV-UHFFFAOYSA-N
Compound name
5-(3-aminopropyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.12627 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 136.2
[M+Na]+ 179.11549 140.8
[M-H]- 155.11899 135.6
[M+NH4]+ 174.16009 154.4
[M+K]+ 195.08943 138.3
[M+H-H2O]+ 139.12353 129.8
[M+HCOO]- 201.12447 154.7
[M+CH3COO]- 215.14012 175.9
[M+Na-2H]- 177.10094 139.9
[M]+ 156.12572 129.4
[M]- 156.12682 129.4
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.