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]+ 288.19582 171.2
[M+Na]+ 310.17776 177.5
[M-H]- 286.18126 179.2
[M+NH4]+ 305.22236 182.4
[M+K]+ 326.15170 174.6
[M+H-H2O]+ 270.18580 162.9
[M+HCOO]- 332.18674 188.6
[M+CH3COO]- 346.20239 203.8
[M+Na-2H]- 308.16321 172.8
[M]+ 287.18799 171.6
[M]- 287.18909 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.