CID 9563074

Thiophene-2-aldehyde semicarbazone

Structural Information

Molecular Formula
C6H7N3OS
SMILES
C1=CSC(=C1)/C=N/NC(=O)N
InChI
InChI=1S/C6H7N3OS/c7-6(10)9-8-4-5-2-1-3-11-5/h1-4H,(H3,7,9,10)/b8-4+
InChIKey
WAZNQENKQABSNN-XBXARRHUSA-N
Compound name
[(E)-thiophen-2-ylmethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

169.03099 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03827 134.9
[M+Na]+ 192.02021 142.4
[M+NH4]+ 187.06481 142.9
[M+K]+ 207.99415 137.5
[M-H]- 168.02371 137.4
[M+Na-2H]- 190.00566 139.7
[M]+ 169.03044 136.6
[M]- 169.03154 136.6
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

No patent data available for this compound.