CID 2450168

[(5-chlorothiophen-2-yl)methyl](ethyl)amine

Structural Information

Molecular Formula

C₇H₁₀ClNS

SMILES

CCNCC1=CC=C(S1)Cl

InChI

InChI=1S/C7H10ClNS/c1-2-9-5-6-3-4-7(8)10-6/h3-4,9H,2,5H2,1H3

InChIKey

PMWLAERHYHLCCV-UHFFFAOYSA-N

Compound name

N-[(5-chlorothiophen-2-yl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 175.02225 Da
Monoisotopic Mass: 2.3
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]+	176.029526	135.0
[M+Na]+	198.011468	144.3
[M-H]-	174.014974	139.2
[M+NH4]+	193.056073	158.5
[M+K]+	213.985408	140.2
[M+H-H2O]+	158.019510	130.6
[M+HCOO]-	220.020451	151.9
[M+CH3COO]-	234.036101	179.1
[M+Na-2H]-	195.996916	137.5
[M]+	175.02170142	138.4
[M]-	175.02279858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe