CID 209070

19158-90-8

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1COC(C2=CC=CC=C21)CN

InChI

InChI=1S/C10H13NO/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10H,5-7,11H2

InChIKey

ILJDAFPFCCVDKU-UHFFFAOYSA-N

Compound name

3,4-dihydro-1H-isochromen-1-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 123
Patents: 163.09972 Da
Monoisotopic Mass: 0.7
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	133.5
[M+Na]+	186.08894	146.2
[M+NH4]+	181.13354	143.5
[M+K]+	202.06288	139.3
[M-H]-	162.09244	138.7
[M+Na-2H]-	184.07439	139.9
[M]+	163.09917	136.7
[M]-	163.10027	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe