CID 18524877

2031260-58-7

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC(C1=CC2=C(C=C1)OCCC2)N

InChI

InChI=1S/C11H15NO/c1-8(12)9-4-5-11-10(7-9)3-2-6-13-11/h4-5,7-8H,2-3,6,12H2,1H3

InChIKey

WLBMOPWNFNFERN-UHFFFAOYSA-N

Compound name

1-(3,4-dihydro-2H-chromen-6-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 177.11537 Da
Monoisotopic Mass: 1.5
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]+	178.12265	138.3
[M+Na]+	200.10459	144.2
[M-H]-	176.10809	142.5
[M+NH4]+	195.14919	157.6
[M+K]+	216.07853	143.0
[M+H-H2O]+	160.11263	132.2
[M+HCOO]-	222.11357	158.0
[M+CH3COO]-	236.12922	183.6
[M+Na-2H]-	198.09004	145.0
[M]+	177.11482	134.9
[M]-	177.11592	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe