CID 57434

98694-58-7

Structural Information

Molecular Formula
C11H19NO3
SMILES
CCC(=O)OC1(CCN(CC1)C)C(=O)C
InChI
InChI=1S/C11H19NO3/c1-4-10(14)15-11(9(2)13)5-7-12(3)8-6-11/h4-8H2,1-3H3
InChIKey
RBQXQTZWJDJANF-UHFFFAOYSA-N
Compound name
(4-acetyl-1-methylpiperidin-4-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.13649 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 148.1
[M+Na]+ 236.12571 153.5
[M-H]- 212.12921 149.7
[M+NH4]+ 231.17031 167.3
[M+K]+ 252.09965 153.4
[M+H-H2O]+ 196.13375 142.4
[M+HCOO]- 258.13469 165.5
[M+CH3COO]- 272.15034 187.2
[M+Na-2H]- 234.11116 150.6
[M]+ 213.13594 147.3
[M]- 213.13704 147.3
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

No patent data available for this compound.