CID 54273706

Wny6gna2uw

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

CC(CC1=CC2=C(C=C1Cl)OCO2)N

InChI

InChI=1S/C10H12ClNO2/c1-6(12)2-7-3-9-10(4-8(7)11)14-5-13-9/h3-4,6H,2,5,12H2,1H3

InChIKey

RLXSVYSNRAKQGZ-UHFFFAOYSA-N

Compound name

1-(6-chloro-1,3-benzodioxol-5-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 213.05565 Da
Monoisotopic Mass: 2.1
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]+	214.062926	146.8
[M+Na]+	236.044868	155.7
[M-H]-	212.048374	152.2
[M+NH4]+	231.089473	166.4
[M+K]+	252.018808	154.0
[M+H-H2O]+	196.052910	142.4
[M+HCOO]-	258.053851	163.4
[M+CH3COO]-	272.069501	187.4
[M+Na-2H]-	234.030316	151.9
[M]+	213.05510142	149.7
[M]-	213.05619858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.