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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.074646 138.7
[M+Na]+ 216.056588 152.4
[M-H]- 192.060094 143.9
[M+NH4]+ 211.101193 159.7
[M+K]+ 232.030528 149.2
[M+H-H2O]+ 176.064630 132.1
[M+HCOO]- 238.065571 159.1
[M+CH3COO]- 252.081221 153.8
[M+Na-2H]- 214.042036 139.2
[M]+ 193.06682142 144.5
[M]- 193.06791858 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.