CID 107234

1-piperidinepropanoic acid, alpha-methyl-, methyl ester, hydrochloride (1:1)

Structural Information

Molecular Formula
C10H19NO2
SMILES
CC(CN1CCCCC1)C(=O)OC
InChI
InChI=1S/C10H19NO2/c1-9(10(12)13-2)8-11-6-4-3-5-7-11/h9H,3-8H2,1-2H3
InChIKey
UBJHJGYIZOTJCT-UHFFFAOYSA-N
Compound name
methyl 2-methyl-3-piperidin-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

185.14159 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 144.2
[M+Na]+ 208.13081 147.9
[M-H]- 184.13431 145.2
[M+NH4]+ 203.17541 162.3
[M+K]+ 224.10475 147.8
[M+H-H2O]+ 168.13885 137.4
[M+HCOO]- 230.13979 161.5
[M+CH3COO]- 244.15544 182.3
[M+Na-2H]- 206.11626 146.4
[M]+ 185.14104 141.6
[M]- 185.14214 141.6
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