CID 79313

5355-68-0

Structural Information

Molecular Formula
C8H15NO
SMILES
CC(C)N1CCC(=O)CC1
InChI
InChI=1S/C8H15NO/c1-7(2)9-5-3-8(10)4-6-9/h7H,3-6H2,1-2H3
InChIKey
CCDBCHAQIXKJCG-UHFFFAOYSA-N
Compound name
1-propan-2-ylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

851
Patents

141.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 131.0
[M+Na]+ 164.104588 136.7
[M-H]- 140.108094 132.7
[M+NH4]+ 159.149193 151.3
[M+K]+ 180.078528 136.2
[M+H-H2O]+ 124.112630 125.0
[M+HCOO]- 186.113571 149.7
[M+CH3COO]- 200.129221 175.1
[M+Na-2H]- 162.090036 134.9
[M]+ 141.11482142 127.3
[M]- 141.11591858 127.3
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