CID 21915429

1h-thieno[3,2-c]pyrazole

Structural Information

Molecular Formula
C5H4N2S
SMILES
C1=CSC2=C1NN=C2
InChI
InChI=1S/C5H4N2S/c1-2-8-5-3-6-7-4(1)5/h1-3H,(H,6,7)
InChIKey
LJMZRBZETLXDSO-UHFFFAOYSA-N
Compound name
1H-thieno[2,3-d]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

843
Patents

124.00952 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.016796 119.2
[M+Na]+ 146.998738 131.6
[M-H]- 123.002244 121.4
[M+NH4]+ 142.043343 144.0
[M+K]+ 162.972678 129.0
[M+H-H2O]+ 107.006780 114.2
[M+HCOO]- 169.007721 139.2
[M+CH3COO]- 183.023371 134.7
[M+Na-2H]- 144.984186 124.4
[M]+ 124.00897142 121.6
[M]- 124.01006858 121.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe