CID 9579136

1161720-10-0

Structural Information

Molecular Formula
C6H7N3S2
SMILES
C1=CSC=C1/C=N/NC(=S)N
InChI
InChI=1S/C6H7N3S2/c7-6(10)9-8-3-5-1-2-11-4-5/h1-4H,(H3,7,9,10)/b8-3+
InChIKey
ZSSANNLIWCSLCB-FPYGCLRLSA-N
Compound name
[(E)-thiophen-3-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.00813 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.01541 136.0
[M+Na]+ 207.99735 143.4
[M-H]- 184.00085 140.3
[M+NH4]+ 203.04195 157.4
[M+K]+ 223.97129 139.2
[M+H-H2O]+ 168.00539 129.2
[M+HCOO]- 230.00633 153.6
[M+CH3COO]- 244.02198 185.3
[M+Na-2H]- 205.98280 137.5
[M]+ 185.00758 134.9
[M]- 185.00868 134.9
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.