CID 22980462

1-(but-3-yn-1-yl)piperidin-4-one

Structural Information

Molecular Formula
C9H13NO
SMILES
C#CCCN1CCC(=O)CC1
InChI
InChI=1S/C9H13NO/c1-2-3-6-10-7-4-9(11)5-8-10/h1H,3-8H2
InChIKey
VRDLYWSNRQLHHZ-UHFFFAOYSA-N
Compound name
1-but-3-ynylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

151.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 135.2
[M+Na]+ 174.08894 146.1
[M+NH4]+ 169.13354 139.8
[M+K]+ 190.06288 136.7
[M-H]- 150.09244 128.4
[M+Na-2H]- 172.07439 137.1
[M]+ 151.09917 133.8
[M]- 151.10027 133.8
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

patents stripe