CID 12058

1-acetylpiperidine

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(=O)N1CCCCC1
InChI
InChI=1S/C7H13NO/c1-7(9)8-5-3-2-4-6-8/h2-6H2,1H3
InChIKey
KDISMIMTGUMORD-UHFFFAOYSA-N
Compound name
1-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

6835
Patents

127.09972 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 127.4
[M+Na]+ 150.088938 132.6
[M-H]- 126.092444 128.8
[M+NH4]+ 145.133543 147.9
[M+K]+ 166.062878 132.3
[M+H-H2O]+ 110.096980 121.3
[M+HCOO]- 172.097921 146.4
[M+CH3COO]- 186.113571 170.3
[M+Na-2H]- 148.074386 132.4
[M]+ 127.09917142 122.8
[M]- 127.10026858 122.8
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