CID 17249036

303070-22-6

Structural Information

Molecular Formula

C₇H₁₀ClNS

SMILES

CCC(C1=CC=C(S1)Cl)N

InChI

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

InChIKey

CQHFAMGIJTYXRN-UHFFFAOYSA-N

Compound name

1-(5-chlorothiophen-2-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 175.02225 Da
Monoisotopic Mass: 2.4
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]+	176.02953	135.8
[M+Na]+	198.01147	144.8
[M-H]-	174.01497	139.6
[M+NH4]+	193.05607	159.0
[M+K]+	213.98541	140.8
[M+H-H2O]+	158.01951	131.5
[M+HCOO]-	220.02045	151.0
[M+CH3COO]-	234.03610	179.2
[M+Na-2H]-	195.99692	136.2
[M]+	175.02170	137.7
[M]-	175.02280	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe