CID 45088893

550378-32-0

Structural Information

Molecular Formula
C9H14N2O
SMILES
C#CC1CCN(CC1)C(=O)CN
InChI
InChI=1S/C9H14N2O/c1-2-8-3-5-11(6-4-8)9(12)7-10/h1,8H,3-7,10H2
InChIKey
ZINCCDBIUQRQDX-UHFFFAOYSA-N
Compound name
2-amino-1-(4-ethynylpiperidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

166.11061 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 137.2
[M+Na]+ 189.099828 144.3
[M-H]- 165.103334 136.8
[M+NH4]+ 184.144433 153.5
[M+K]+ 205.073768 141.3
[M+H-H2O]+ 149.107870 124.7
[M+HCOO]- 211.108811 150.6
[M+CH3COO]- 225.124461 188.2
[M+Na-2H]- 187.085276 139.1
[M]+ 166.11006142 126.4
[M]- 166.11115858 126.4
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

patents stripe