CID 43512039

1153404-46-6

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

CC1=CC(=CC2=C1OCCC2NC)Cl

InChI

InChI=1S/C11H14ClNO/c1-7-5-8(12)6-9-10(13-2)3-4-14-11(7)9/h5-6,10,13H,3-4H2,1-2H3

InChIKey

CMGKEKXMWWBAQL-UHFFFAOYSA-N

Compound name

6-chloro-N,8-dimethyl-3,4-dihydro-2H-chromen-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.07639 Da
Monoisotopic Mass: 2.4
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]+	212.083666	144.7
[M+Na]+	234.065608	153.5
[M-H]-	210.069114	149.9
[M+NH4]+	229.110213	164.5
[M+K]+	250.039548	150.3
[M+H-H2O]+	194.073650	139.7
[M+HCOO]-	256.074591	161.4
[M+CH3COO]-	270.090241	189.5
[M+Na-2H]-	232.051056	151.6
[M]+	211.07584142	145.9
[M]-	211.07693858	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.