CID 53438981

252854-36-7

Structural Information

Molecular Formula

C₁₀H₁₂ClN

SMILES

CNC1CCC2=C1C=CC(=C2)Cl

InChI

InChI=1S/C10H12ClN/c1-12-10-5-2-7-6-8(11)3-4-9(7)10/h3-4,6,10,12H,2,5H2,1H3

InChIKey

APDDSOKAUAEGIG-UHFFFAOYSA-N

Compound name

5-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 181.06583 Da
Monoisotopic Mass: 2.3
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]+	182.07311	137.9
[M+Na]+	204.05505	147.1
[M-H]-	180.05855	142.4
[M+NH4]+	199.09965	161.7
[M+K]+	220.02899	142.4
[M+H-H2O]+	164.06309	133.3
[M+HCOO]-	226.06403	157.7
[M+CH3COO]-	240.07968	182.9
[M+Na-2H]-	202.04050	143.6
[M]+	181.06528	138.2
[M]-	181.06638	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe