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]+ 194.153946 143.5
[M+Na]+ 216.135888 149.7
[M-H]- 192.139394 143.0
[M+NH4]+ 211.180493 159.3
[M+K]+ 232.109828 145.9
[M+H-H2O]+ 176.143930 130.7
[M+HCOO]- 238.144871 155.8
[M+CH3COO]- 252.160521 191.7
[M+Na-2H]- 214.121336 145.7
[M]+ 193.14612142 135.1
[M]- 193.14721858 135.1
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.