CID 40787223

1055949-63-7

Structural Information

Molecular Formula

C₁₀H₁₂ClN

SMILES

C1C[C@H](C2=C(C1)C=CC(=C2)Cl)N

InChI

InChI=1S/C10H12ClN/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,10H,1-3,12H2/t10-/m1/s1

InChIKey

JKGNIZNLBBLURY-SNVBAGLBSA-N

Compound name

(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 181.06583 Da
Monoisotopic Mass: 2.2
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	136.4
[M+Na]+	204.05505	144.7
[M-H]-	180.05855	140.2
[M+NH4]+	199.09965	158.1
[M+K]+	220.02899	139.8
[M+H-H2O]+	164.06309	131.7
[M+HCOO]-	226.06403	153.5
[M+CH3COO]-	240.07968	149.6
[M+Na-2H]-	202.04050	142.8
[M]+	181.06528	133.7
[M]-	181.06638	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe