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]+ 194.07465 138.7
[M+Na]+ 216.05659 152.4
[M-H]- 192.06009 143.9
[M+NH4]+ 211.10119 159.7
[M+K]+ 232.03053 149.2
[M+H-H2O]+ 176.06463 132.1
[M+HCOO]- 238.06557 159.1
[M+CH3COO]- 252.08122 153.8
[M+Na-2H]- 214.04204 139.2
[M]+ 193.06682 144.5
[M]- 193.06792 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.