CID 103907305

1-(piperidin-1-yl)hept-6-yn-1-one

Structural Information

Molecular Formula
C12H19NO
SMILES
C#CCCCCC(=O)N1CCCCC1
InChI
InChI=1S/C12H19NO/c1-2-3-4-6-9-12(14)13-10-7-5-8-11-13/h1H,3-11H2
InChIKey
DBQKUTLBNPNRHQ-UHFFFAOYSA-N
Compound name
1-piperidin-1-ylhept-6-yn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 148.4
[M+Na]+ 216.13589 158.2
[M+NH4]+ 211.18049 152.5
[M+K]+ 232.10983 148.6
[M-H]- 192.13939 141.3
[M+Na-2H]- 214.12134 149.5
[M]+ 193.14612 146.8
[M]- 193.14722 146.8
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.