CID 416350

2-methyl-1-piperidinepropionic acid methyl ester hydrochloride

Structural Information

Molecular Formula
C10H19NO2
SMILES
CC1CCCCN1CCC(=O)OC
InChI
InChI=1S/C10H19NO2/c1-9-5-3-4-7-11(9)8-6-10(12)13-2/h9H,3-8H2,1-2H3
InChIKey
PJCRNZVEJBXMEZ-UHFFFAOYSA-N
Compound name
methyl 3-(2-methylpiperidin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.14159 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 143.6
[M+Na]+ 208.13081 148.4
[M-H]- 184.13431 144.8
[M+NH4]+ 203.17541 162.0
[M+K]+ 224.10475 147.8
[M+H-H2O]+ 168.13885 136.9
[M+HCOO]- 230.13979 161.8
[M+CH3COO]- 244.15544 182.6
[M+Na-2H]- 206.11626 146.3
[M]+ 185.14104 141.9
[M]- 185.14214 141.9
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.