CID 17914450

1-(3-aminopropyl)piperidin-2-one

Structural Information

Molecular Formula
C8H16N2O
SMILES
C1CCN(C(=O)C1)CCCN
InChI
InChI=1S/C8H16N2O/c9-5-3-7-10-6-2-1-4-8(10)11/h1-7,9H2
InChIKey
YAGYGLVHFZFVTL-UHFFFAOYSA-N
Compound name
1-(3-aminopropyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

156.12627 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 135.5
[M+Na]+ 179.11549 140.6
[M-H]- 155.11899 136.4
[M+NH4]+ 174.16009 154.5
[M+K]+ 195.08943 139.0
[M+H-H2O]+ 139.12353 128.9
[M+HCOO]- 201.12447 155.6
[M+CH3COO]- 215.14012 178.4
[M+Na-2H]- 177.10094 139.8
[M]+ 156.12572 130.6
[M]- 156.12682 130.6
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