CID 23008725

3-methyl-3,4-dihydro-2h-1-benzopyran-4-amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC1COC2=CC=CC=C2C1N

InChI

InChI=1S/C10H13NO/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5,7,10H,6,11H2,1H3

InChIKey

ZZNNYMMLWMBZOR-UHFFFAOYSA-N

Compound name

3-methyl-3,4-dihydro-2H-chromen-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 163.09972 Da
Monoisotopic Mass: 1.4
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]+	164.106996	133.1
[M+Na]+	186.088938	140.7
[M-H]-	162.092444	137.8
[M+NH4]+	181.133543	153.4
[M+K]+	202.062878	139.2
[M+H-H2O]+	146.096980	127.3
[M+HCOO]-	208.097921	154.1
[M+CH3COO]-	222.113571	180.8
[M+Na-2H]-	184.074386	140.8
[M]+	163.09917142	130.4
[M]-	163.10026858	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe