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]+ 248.16451 158.9
[M+Na]+ 270.14645 164.4
[M-H]- 246.14995 162.4
[M+NH4]+ 265.19105 174.3
[M+K]+ 286.12039 160.9
[M+H-H2O]+ 230.15449 151.3
[M+HCOO]- 292.15543 175.4
[M+CH3COO]- 306.17108 193.0
[M+Na-2H]- 268.13190 159.7
[M]+ 247.15668 155.3
[M]- 247.15778 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.