CID 388857

75007-32-8

Structural Information

Molecular Formula

C₉H₁₁N₃S

SMILES

CC1=CC(=NN1C2=NC(=CS2)C)C

InChI

InChI=1S/C9H11N3S/c1-6-4-8(3)12(11-6)9-10-7(2)5-13-9/h4-5H,1-3H3

InChIKey

JEFRVCKLXOOWNK-UHFFFAOYSA-N

Compound name

2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.06737 Da
Monoisotopic Mass: 2.5
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]+	194.07465	141.2
[M+Na]+	216.05659	155.0
[M+NH4]+	211.10119	150.0
[M+K]+	232.03053	150.1
[M-H]-	192.06009	143.8
[M+Na-2H]-	214.04204	148.1
[M]+	193.06682	144.4
[M]-	193.06792	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.