CID 42130004

2219353-78-1

Structural Information

Molecular Formula

C₁₃H₁₆ClNO

SMILES

C1CCC2(C1)C[C@@H](C3=C(O2)C=CC(=C3)Cl)N

InChI

InChI=1S/C13H16ClNO/c14-9-3-4-12-10(7-9)11(15)8-13(16-12)5-1-2-6-13/h3-4,7,11H,1-2,5-6,8,15H2/t11-/m0/s1

InChIKey

QXAJODYLQZMLAF-NSHDSACASA-N

Compound name

(4S)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.09204 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]+	238.099316	152.8
[M+Na]+	260.081258	160.8
[M-H]-	236.084764	159.1
[M+NH4]+	255.125863	174.8
[M+K]+	276.055198	156.3
[M+H-H2O]+	220.089300	147.6
[M+HCOO]-	282.090241	167.4
[M+CH3COO]-	296.105891	165.2
[M+Na-2H]-	258.066706	157.5
[M]+	237.09149142	149.6
[M]-	237.09258858	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.