CID 2807509

2-indanone thiosemicarbazone

Structural Information

Molecular Formula
C10H11N3S
SMILES
C1C(=NNC(=S)N)CC2=CC=CC=C21
InChI
InChI=1S/C10H11N3S/c11-10(14)13-12-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2,(H3,11,13,14)
InChIKey
JGHCFRSOVBJGGA-UHFFFAOYSA-N
Compound name
(1,3-dihydroinden-2-ylideneamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

205.06737 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.074646 141.7
[M+Na]+ 228.056588 148.7
[M-H]- 204.060094 147.0
[M+NH4]+ 223.101193 163.6
[M+K]+ 244.030528 144.9
[M+H-H2O]+ 188.064630 135.5
[M+HCOO]- 250.065571 163.1
[M+CH3COO]- 264.081221 191.4
[M+Na-2H]- 226.042036 145.4
[M]+ 205.06682142 139.5
[M]- 205.06791858 139.5
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.