CID 40571799

1884151-61-4

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

C[C@H](CC1=CC2=C(C=C1)OCCO2)N

InChI

InChI=1S/C11H15NO2/c1-8(12)6-9-2-3-10-11(7-9)14-5-4-13-10/h2-3,7-8H,4-6,12H2,1H3/t8-/m1/s1

InChIKey

HDECLNXLHDXDKE-MRVPVSSYSA-N

Compound name

(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 193.11028 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]+	194.117556	142.9
[M+Na]+	216.099498	148.8
[M-H]-	192.103004	147.7
[M+NH4]+	211.144103	160.2
[M+K]+	232.073438	149.0
[M+H-H2O]+	176.107540	136.5
[M+HCOO]-	238.108481	161.7
[M+CH3COO]-	252.124131	185.9
[M+Na-2H]-	214.084946	150.3
[M]+	193.10973142	141.6
[M]-	193.11082858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe