CID 5093965

1-(piperidin-1-yl)prop-2-yn-1-one

Structural Information

Molecular Formula
C8H11NO
SMILES
C#CC(=O)N1CCCCC1
InChI
InChI=1S/C8H11NO/c1-2-8(10)9-6-4-3-5-7-9/h1H,3-7H2
InChIKey
VWWLWYUCGHGCAO-UHFFFAOYSA-N
Compound name
1-piperidin-1-ylprop-2-yn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

137.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 127.8
[M+Na]+ 160.07328 135.5
[M-H]- 136.07678 128.0
[M+NH4]+ 155.11788 145.6
[M+K]+ 176.04722 132.7
[M+H-H2O]+ 120.08132 115.7
[M+HCOO]- 182.08226 141.3
[M+CH3COO]- 196.09791 180.8
[M+Na-2H]- 158.05873 131.9
[M]+ 137.08351 118.1
[M]- 137.08461 118.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe