CID 54246036

1-(prop-2-yn-1-yl)piperidine-4-carboxamide

Structural Information

Molecular Formula
C9H14N2O
SMILES
C#CCN1CCC(CC1)C(=O)N
InChI
InChI=1S/C9H14N2O/c1-2-5-11-6-3-8(4-7-11)9(10)12/h1,8H,3-7H2,(H2,10,12)
InChIKey
QTIJDAKMQZOACZ-UHFFFAOYSA-N
Compound name
1-prop-2-ynylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

166.11061 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 136.8
[M+Na]+ 189.09983 143.9
[M-H]- 165.10333 136.4
[M+NH4]+ 184.14443 153.1
[M+K]+ 205.07377 140.8
[M+H-H2O]+ 149.10787 124.3
[M+HCOO]- 211.10881 150.2
[M+CH3COO]- 225.12446 188.9
[M+Na-2H]- 187.08528 138.8
[M]+ 166.11006 126.1
[M]- 166.11116 126.1
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

patents stripe