CID 3076325

4-piperidinecarboxylic acid, 4-(4-cyclopropylphenyl)-1-methyl-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C18H25NO2
SMILES
CCOC(=O)C1(CCN(CC1)C)C2=CC=C(C=C2)C3CC3
InChI
InChI=1S/C18H25NO2/c1-3-21-17(20)18(10-12-19(2)13-11-18)16-8-6-15(7-9-16)14-4-5-14/h6-9,14H,3-5,10-13H2,1-2H3
InChIKey
IONWUALCFDGIPA-UHFFFAOYSA-N
Compound name
ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.18854 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.195816 171.2
[M+Na]+ 310.177758 177.5
[M-H]- 286.181264 179.2
[M+NH4]+ 305.222363 182.4
[M+K]+ 326.151698 174.6
[M+H-H2O]+ 270.185800 162.9
[M+HCOO]- 332.186741 188.6
[M+CH3COO]- 346.202391 203.8
[M+Na-2H]- 308.163206 172.8
[M]+ 287.18799142 171.6
[M]- 287.18908858 171.6
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.