CID 215709

Nu-845

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

CC(=O)OC1(CCN(CC1)C)C2=CC=CC=C2

InChI

InChI=1S/C14H19NO2/c1-12(16)17-14(8-10-15(2)11-9-14)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3

InChIKey

PCWDRFCTWZRANB-UHFFFAOYSA-N

Compound name

(1-methyl-4-phenylpiperidin-4-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.14159 Da
Monoisotopic Mass: 2.0
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	154.4
[M+Na]+	256.13081	159.8
[M-H]-	232.13431	159.0
[M+NH4]+	251.17541	172.5
[M+K]+	272.10475	157.8
[M+H-H2O]+	216.13885	146.7
[M+HCOO]-	278.13979	172.8
[M+CH3COO]-	292.15544	189.7
[M+Na-2H]-	254.11626	158.6
[M]+	233.14104	151.8
[M]-	233.14214	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe