CID 11240571

96841-04-2

Structural Information

Molecular Formula

C₄H₅ClN₂S

SMILES

CC1=NSC(=C1Cl)N

InChI

InChI=1S/C4H5ClN2S/c1-2-3(5)4(6)8-7-2/h6H2,1H3

InChIKey

XDMQUGBVBORFEY-UHFFFAOYSA-N

Compound name

4-chloro-3-methyl-1,2-thiazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 147.98619 Da
Monoisotopic Mass: 1.7
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]+	148.993466	125.0
[M+Na]+	170.975408	136.5
[M-H]-	146.978914	128.1
[M+NH4]+	166.020013	148.3
[M+K]+	186.949348	132.8
[M+H-H2O]+	130.983450	120.5
[M+HCOO]-	192.984391	141.0
[M+CH3COO]-	207.000041	173.1
[M+Na-2H]-	168.960856	127.3
[M]+	147.98564142	127.2
[M]-	147.98673858	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe