CID 141152679

2103918-66-5

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
CCOC(=O)C1=CC2=C(S1)NN=C2
InChI
InChI=1S/C8H8N2O2S/c1-2-12-8(11)6-3-5-4-9-10-7(5)13-6/h3-4H,2H2,1H3,(H,9,10)
InChIKey
PSMTZOPUCQEKOU-UHFFFAOYSA-N
Compound name
ethyl 1H-thieno[3,2-d]pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

196.03065 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.037926 140.0
[M+Na]+ 219.019868 151.4
[M-H]- 195.023374 142.2
[M+NH4]+ 214.064473 161.8
[M+K]+ 234.993808 148.8
[M+H-H2O]+ 179.027910 134.7
[M+HCOO]- 241.028851 158.5
[M+CH3COO]- 255.044501 177.0
[M+Na-2H]- 217.005316 142.1
[M]+ 196.03010142 145.1
[M]- 196.03119858 145.1
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

patents stripe