CID 90006

1-propyl-4-piperidone

Structural Information

Molecular Formula
C8H15NO
SMILES
CCCN1CCC(=O)CC1
InChI
InChI=1S/C8H15NO/c1-2-5-9-6-3-8(10)4-7-9/h2-7H2,1H3
InChIKey
YGDZKYYCJUNORF-UHFFFAOYSA-N
Compound name
1-propylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

465
Patents

141.11537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 131.0
[M+Na]+ 164.10459 136.9
[M-H]- 140.10809 132.5
[M+NH4]+ 159.14919 151.3
[M+K]+ 180.07853 135.9
[M+H-H2O]+ 124.11263 124.8
[M+HCOO]- 186.11357 150.6
[M+CH3COO]- 200.12922 174.3
[M+Na-2H]- 162.09004 136.1
[M]+ 141.11482 127.9
[M]- 141.11592 127.9
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