CID 102336591

6-eapb

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

CCNC(C)CC1=CC2=C(C=C1)C=CO2

InChI

InChI=1S/C13H17NO/c1-3-14-10(2)8-11-4-5-12-6-7-15-13(12)9-11/h4-7,9-10,14H,3,8H2,1-2H3

InChIKey

MIRNYUKRRZFBOI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 203.13101 Da
Monoisotopic Mass: 3.0
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]+	204.13829	145.8
[M+Na]+	226.12023	153.8
[M-H]-	202.12373	151.2
[M+NH4]+	221.16483	166.5
[M+K]+	242.09417	151.9
[M+H-H2O]+	186.12827	139.8
[M+HCOO]-	248.12921	170.5
[M+CH3COO]-	262.14486	189.3
[M+Na-2H]-	224.10568	152.7
[M]+	203.13046	149.2
[M]-	203.13156	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe