CID 3041595

54444-97-2

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC1=CC2=C(C=C1)OCC(C2)N

InChI

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

InChIKey

KNBXYRFCLWTMLM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
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]+	164.10700	133.1
[M+Na]+	186.08894	146.2
[M+NH4]+	181.13354	143.2
[M+K]+	202.06288	139.6
[M-H]-	162.09244	138.4
[M+Na-2H]-	184.07439	139.3
[M]+	163.09917	136.5
[M]-	163.10027	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.