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[2,3-c]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]+ 197.03793 140.0
[M+Na]+ 219.01987 151.4
[M-H]- 195.02337 142.2
[M+NH4]+ 214.06447 161.8
[M+K]+ 234.99381 148.8
[M+H-H2O]+ 179.02791 134.7
[M+HCOO]- 241.02885 158.5
[M+CH3COO]- 255.04450 177.0
[M+Na-2H]- 217.00532 142.1
[M]+ 196.03010 145.1
[M]- 196.03120 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