CID 21909488

80851-96-3

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(=O)C1CCCNC1
InChI
InChI=1S/C7H13NO/c1-6(9)7-3-2-4-8-5-7/h7-8H,2-5H2,1H3
InChIKey
NPESJLMSOHJUQQ-UHFFFAOYSA-N
Compound name
1-piperidin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

238
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

No literature data available for this compound.

Patent stripe

patents stripe