CID 49892

67482-59-1

Structural Information

Molecular Formula

C₇H₁₀ClNS

SMILES

CC(CC1=C(C=CS1)Cl)N

InChI

InChI=1S/C7H10ClNS/c1-5(9)4-7-6(8)2-3-10-7/h2-3,5H,4,9H2,1H3

InChIKey

BTDSUQRCVUBHNX-UHFFFAOYSA-N

Compound name

1-(3-chlorothiophen-2-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 175.02225 Da
Monoisotopic Mass: 2.0
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]+	176.029526	135.8
[M+Na]+	198.011468	144.8
[M-H]-	174.014974	139.6
[M+NH4]+	193.056073	159.0
[M+K]+	213.985408	140.8
[M+H-H2O]+	158.019510	131.5
[M+HCOO]-	220.020451	151.0
[M+CH3COO]-	234.036101	179.2
[M+Na-2H]-	195.996916	136.2
[M]+	175.02170142	137.7
[M]-	175.02279858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe