CID 11687293

333986-70-2

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

COC(=O)C1=CC=C(C=C1)CC2CCNCC2

InChI

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

InChIKey

RMWYXTUXQXGDBW-UHFFFAOYSA-N

Compound name

methyl 4-(piperidin-4-ylmethyl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 233.14159 Da
Monoisotopic Mass: 2.9
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]+	234.148866	155.0
[M+Na]+	256.130808	158.9
[M-H]-	232.134314	157.8
[M+NH4]+	251.175413	170.2
[M+K]+	272.104748	155.6
[M+H-H2O]+	216.138850	146.9
[M+HCOO]-	278.139791	171.8
[M+CH3COO]-	292.155441	187.6
[M+Na-2H]-	254.116256	157.6
[M]+	233.14104142	150.2
[M]-	233.14213858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe