CID 10559254

104566-44-1

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1COC(O1)C2=CC=C(C=C2)CN

InChI

InChI=1S/C10H13NO2/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-4,10H,5-7,11H2

InChIKey

NUKQIICQHKOVHB-UHFFFAOYSA-N

Compound name

[4-(1,3-dioxolan-2-yl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 179.09464 Da
Monoisotopic Mass: 0.2
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]+	180.10192	138.2
[M+Na]+	202.08386	149.7
[M+NH4]+	197.12846	147.1
[M+K]+	218.05780	146.1
[M-H]-	178.08736	144.9
[M+Na-2H]-	200.06931	144.3
[M]+	179.09409	141.6
[M]-	179.09519	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe