CID 4158

Methylphenidate

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

COC(=O)C(C1CCCCN1)C2=CC=CC=C2

InChI

InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3

InChIKey

DUGOZIWVEXMGBE-UHFFFAOYSA-N

Compound name

methyl 2-phenyl-2-piperidin-2-ylacetate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 9298
References: 47266
Patents: 233.14159 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	234.14887	155.2
[M+Na]+	256.13081	157.9
[M-H]-	232.13431	157.6
[M+NH4]+	251.17541	170.0
[M+K]+	272.10475	155.1
[M+H-H2O]+	216.13885	147.1
[M+HCOO]-	278.13979	171.0
[M+CH3COO]-	292.15544	187.4
[M+Na-2H]-	254.11626	157.4
[M]+	233.14104	149.4
[M]-	233.14214	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe