CID 2723764

1-(piperidin-4-yl)ethan-1-one

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(=O)C1CCNCC1
InChI
InChI=1S/C7H13NO/c1-6(9)7-2-4-8-5-3-7/h7-8H,2-5H2,1H3
InChIKey
STNLQJRBZHAGSO-UHFFFAOYSA-N
Compound name
1-piperidin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

879
Patents

127.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 128.1
[M+Na]+ 150.088938 132.8
[M-H]- 126.092444 128.0
[M+NH4]+ 145.133543 147.8
[M+K]+ 166.062878 131.5
[M+H-H2O]+ 110.096980 122.2
[M+HCOO]- 172.097921 145.5
[M+CH3COO]- 186.113571 168.3
[M+Na-2H]- 148.074386 132.6
[M]+ 127.09917142 121.6
[M]- 127.10026858 121.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe