CID 122202866

6-mapb

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

CC(CC1=CC2=C(C=C1)C=CO2)NC

InChI

InChI=1S/C12H15NO/c1-9(13-2)7-10-3-4-11-5-6-14-12(11)8-10/h3-6,8-9,13H,7H2,1-2H3

InChIKey

QLAAURQYEAEHBO-UHFFFAOYSA-N

Compound name

1-(1-benzofuran-6-yl)-N-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 67
Patents: 189.11537 Da
Monoisotopic Mass: 2.6
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]+	190.12265	140.9
[M+Na]+	212.10459	149.4
[M-H]-	188.10809	146.6
[M+NH4]+	207.14919	162.2
[M+K]+	228.07853	147.7
[M+H-H2O]+	172.11263	135.2
[M+HCOO]-	234.11357	166.0
[M+CH3COO]-	248.12922	186.3
[M+Na-2H]-	210.09004	148.5
[M]+	189.11482	144.0
[M]-	189.11592	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe