CID 1088480

(furan-2-ylmethyl)(thiophen-2-ylmethyl)amine

Structural Information

Molecular Formula

C₁₀H₁₁NOS

SMILES

C1=COC(=C1)CNCC2=CC=CS2

InChI

InChI=1S/C10H11NOS/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6,11H,7-8H2

InChIKey

ZIBXJYYJXSSFBJ-UHFFFAOYSA-N

Compound name

1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 193.05614 Da
Monoisotopic Mass: 1.6
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]+	194.063416	139.4
[M+Na]+	216.045358	148.9
[M-H]-	192.048864	147.9
[M+NH4]+	211.089963	161.6
[M+K]+	232.019298	147.1
[M+H-H2O]+	176.053400	134.0
[M+HCOO]-	238.054341	163.6
[M+CH3COO]-	252.069991	154.4
[M+Na-2H]-	214.030806	143.6
[M]+	193.05559142	144.0
[M]-	193.05668858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe