CID 71372509

635283-91-9

Structural Information

Molecular Formula

C₆H₉ClN₄S

SMILES

CN=C(N)NCC1=CN=C(S1)Cl

InChI

InChI=1S/C6H9ClN4S/c1-9-6(8)11-3-4-2-10-5(7)12-4/h2H,3H2,1H3,(H3,8,9,11)

InChIKey

MHIUXKNNQDINSL-UHFFFAOYSA-N

Compound name

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylguanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 204.02365 Da
Monoisotopic Mass: 0.7
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]+	205.03093	142.1
[M+Na]+	227.01287	150.5
[M-H]-	203.01637	145.8
[M+NH4]+	222.05747	162.6
[M+K]+	242.98681	146.8
[M+H-H2O]+	187.02091	135.6
[M+HCOO]-	249.02185	159.9
[M+CH3COO]-	263.03750	189.0
[M+Na-2H]-	224.99832	144.3
[M]+	204.02310	143.5
[M]-	204.02420	143.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.