CID 3135654

30646-49-2

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

C1CC(OC1)CNC(=O)C2=CC=CC=C2N

InChI

InChI=1S/C12H16N2O2/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-2,5-6,9H,3-4,7-8,13H2,(H,14,15)

InChIKey

GXJMUCRPBMVLOM-UHFFFAOYSA-N

Compound name

2-amino-N-(oxolan-2-ylmethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
Patents: 220.12119 Da
Monoisotopic Mass: 1.5
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]+	221.12847	151.2
[M+Na]+	243.11041	160.3
[M+NH4]+	238.15501	158.9
[M+K]+	259.08435	157.0
[M-H]-	219.11391	156.2
[M+Na-2H]-	241.09586	156.4
[M]+	220.12064	153.5
[M]-	220.12174	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe