CID 11550150

96219-87-3

Structural Information

Molecular Formula
C8H7N3OS
SMILES
C1=CSC(=C1)C(=O)C2=C(NN=C2)N
InChI
InChI=1S/C8H7N3OS/c9-8-5(4-10-11-8)7(12)6-2-1-3-13-6/h1-4H,(H3,9,10,11)
InChIKey
DKSHGSCMEXOBRE-UHFFFAOYSA-N
Compound name
(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

193.03099 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.038266 138.3
[M+Na]+ 216.020208 148.8
[M-H]- 192.023714 142.5
[M+NH4]+ 211.064813 158.3
[M+K]+ 231.994148 145.0
[M+H-H2O]+ 176.028250 131.7
[M+HCOO]- 238.029191 158.5
[M+CH3COO]- 252.044841 152.0
[M+Na-2H]- 214.005656 139.3
[M]+ 193.03044142 138.9
[M]- 193.03153858 138.9
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