CID 11321928

162045-54-7

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

C1CNCCC1N2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C12H14N2O2/c15-12-14(9-5-7-13-8-6-9)10-3-1-2-4-11(10)16-12/h1-4,9,13H,5-8H2

InChIKey

SDARRYSVKYQEIW-UHFFFAOYSA-N

Compound name

3-piperidin-4-yl-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 218.10553 Da
Monoisotopic Mass: 1.4
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]+	219.112806	145.3
[M+Na]+	241.094748	153.9
[M-H]-	217.098254	149.6
[M+NH4]+	236.139353	161.8
[M+K]+	257.068688	150.5
[M+H-H2O]+	201.102790	137.5
[M+HCOO]-	263.103731	163.6
[M+CH3COO]-	277.119381	157.7
[M+Na-2H]-	239.080196	151.3
[M]+	218.10498142	143.1
[M]-	218.10607858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe