CID 85687605

2503203-89-0

Structural Information

Molecular Formula

C₇H₁₁ClN₂S

SMILES

C1=C(N=C(S1)N)CCCCCl

InChI

InChI=1S/C7H11ClN2S/c8-4-2-1-3-6-5-11-7(9)10-6/h5H,1-4H2,(H2,9,10)

InChIKey

ZPTOHXROIVCYKY-UHFFFAOYSA-N

Compound name

4-(4-chlorobutyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 190.03314 Da
Monoisotopic Mass: 2.2
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]+	191.04042	138.8
[M+Na]+	213.02236	149.9
[M+NH4]+	208.06696	148.0
[M+K]+	228.99630	142.6
[M-H]-	189.02586	140.8
[M+Na-2H]-	211.00781	143.7
[M]+	190.03259	141.5
[M]-	190.03369	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe