CID 26421

14045-28-4

Structural Information

Molecular Formula
C8H15NO
SMILES
CCC(=O)N1CCCCC1
InChI
InChI=1S/C8H15NO/c1-2-8(10)9-6-4-3-5-7-9/h2-7H2,1H3
InChIKey
MTJVUMGKHCIMJL-UHFFFAOYSA-N
Compound name
1-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1048
Patents

141.11537 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 132.0
[M+Na]+ 164.10459 136.8
[M-H]- 140.10809 133.2
[M+NH4]+ 159.14919 151.9
[M+K]+ 180.07853 136.2
[M+H-H2O]+ 124.11263 125.7
[M+HCOO]- 186.11357 150.6
[M+CH3COO]- 200.12922 173.4
[M+Na-2H]- 162.09004 136.5
[M]+ 141.11482 127.7
[M]- 141.11592 127.7
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