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 143.5
[M+Na]+ 216.13589 149.7
[M-H]- 192.13939 143.0
[M+NH4]+ 211.18049 159.3
[M+K]+ 232.10983 145.9
[M+H-H2O]+ 176.14393 130.7
[M+HCOO]- 238.14487 155.8
[M+CH3COO]- 252.16052 191.7
[M+Na-2H]- 214.12134 145.7
[M]+ 193.14612 135.1
[M]- 193.14722 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.