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 129.7
[M+Na]+ 174.08894 138.1
[M-H]- 150.09244 130.0
[M+NH4]+ 169.13354 147.3
[M+K]+ 190.06288 134.7
[M+H-H2O]+ 134.09698 117.6
[M+HCOO]- 196.09792 143.9
[M+CH3COO]- 210.11357 184.4
[M+Na-2H]- 172.07439 133.9
[M]+ 151.09917 121.4
[M]- 151.10027 121.4
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