CID 34438

29027-38-1

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

COC1=CC2=C(C=C1)OC(C2)CN

InChI

InChI=1S/C10H13NO2/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10/h2-4,9H,5-6,11H2,1H3

InChIKey

SJKHKXBRCIBXRD-UHFFFAOYSA-N

Compound name

(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 179.09464 Da
Monoisotopic Mass: 1.0
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]+	180.101916	136.4
[M+Na]+	202.083858	144.8
[M-H]-	178.087364	141.4
[M+NH4]+	197.128463	157.9
[M+K]+	218.057798	143.7
[M+H-H2O]+	162.091900	131.1
[M+HCOO]-	224.092841	159.8
[M+CH3COO]-	238.108491	182.5
[M+Na-2H]-	200.069306	142.8
[M]+	179.09409142	137.3
[M]-	179.09518858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe