CID 208189

Thiazole, 2-chloro-4-methyl-5-propyl-

Structural Information

Molecular Formula

C₇H₁₀ClNS

SMILES

CCCC1=C(N=C(S1)Cl)C

InChI

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

InChIKey

QMTUCXGJDRIQSH-UHFFFAOYSA-N

Compound name

2-chloro-4-methyl-5-propyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 175.02225 Da
Monoisotopic Mass: 3.5
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	133.5
[M+Na]+	198.01147	144.7
[M-H]-	174.01497	136.7
[M+NH4]+	193.05607	156.4
[M+K]+	213.98541	140.9
[M+H-H2O]+	158.01951	128.9
[M+HCOO]-	220.02045	148.2
[M+CH3COO]-	234.03610	178.1
[M+Na-2H]-	195.99692	134.8
[M]+	175.02170	138.5
[M]-	175.02280	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe