CID 1370

1-bcp

Structural Information

Molecular Formula

C₁₃H₁₅NO₃

SMILES

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H15NO3/c15-13(14-6-2-1-3-7-14)10-4-5-11-12(8-10)17-9-16-11/h4-5,8H,1-3,6-7,9H2

InChIKey

BXBNADAPIHHXJQ-UHFFFAOYSA-N

Compound name

1,3-benzodioxol-5-yl(piperidin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 17
References: 158
Patents: 233.1052 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]+	234.112476	150.6
[M+Na]+	256.094418	156.0
[M-H]-	232.097924	157.2
[M+NH4]+	251.139023	166.6
[M+K]+	272.068358	155.8
[M+H-H2O]+	216.102460	143.4
[M+HCOO]-	278.103401	166.8
[M+CH3COO]-	292.119051	162.3
[M+Na-2H]-	254.079866	155.0
[M]+	233.10465142	148.1
[M]-	233.10574858	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe