CID 130984709

Pd017674

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

CC(CC1=CC=CC2=C1OC=C2)NC

InChI

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

InChIKey

UTBBEUXDYAEVKL-UHFFFAOYSA-N

Compound name

1-(1-benzofuran-7-yl)-N-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	190.122646	140.9
[M+Na]+	212.104588	149.4
[M-H]-	188.108094	146.6
[M+NH4]+	207.149193	162.2
[M+K]+	228.078528	147.7
[M+H-H2O]+	172.112630	135.2
[M+HCOO]-	234.113571	166.0
[M+CH3COO]-	248.129221	186.3
[M+Na-2H]-	210.090036	148.5
[M]+	189.11482142	144.0
[M]-	189.11591858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.