CID 155943377

Methyl 4-(2,4-dimethylphenyl)piperidine-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC1=CC(=C(C=C1)C2CCNC(C2)C(=O)OC)C
InChI
InChI=1S/C15H21NO2/c1-10-4-5-13(11(2)8-10)12-6-7-16-14(9-12)15(17)18-3/h4-5,8,12,14,16H,6-7,9H2,1-3H3
InChIKey
SARKKSZOGTXDSI-UHFFFAOYSA-N
Compound name
methyl 4-(2,4-dimethylphenyl)piperidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 158.9
[M+Na]+ 270.146448 164.4
[M-H]- 246.149954 162.4
[M+NH4]+ 265.191053 174.3
[M+K]+ 286.120388 160.9
[M+H-H2O]+ 230.154490 151.3
[M+HCOO]- 292.155431 175.4
[M+CH3COO]- 306.171081 193.0
[M+Na-2H]- 268.131896 159.7
[M]+ 247.15668142 155.3
[M]- 247.15777858 155.3
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.