CID 60209987

6-chloro-mdma

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

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

InChI

InChI=1S/C11H14ClNO2/c1-7(13-2)3-8-4-10-11(5-9(8)12)15-6-14-10/h4-5,7,13H,3,6H2,1-2H3

InChIKey

UUGIOXDVHPQROZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.0713 Da
Monoisotopic Mass: 2.6
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]+	228.078576	151.2
[M+Na]+	250.060518	159.6
[M-H]-	226.064024	156.9
[M+NH4]+	245.105123	170.4
[M+K]+	266.034458	158.0
[M+H-H2O]+	210.068560	146.5
[M+HCOO]-	272.069501	168.1
[M+CH3COO]-	286.085151	191.0
[M+Na-2H]-	248.045966	156.7
[M]+	227.07075142	155.4
[M]-	227.07184858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.