CID 71567677

[(e)-1-indan-5-ylethylideneamino]thiourea

Structural Information

Molecular Formula
C12H15N3S
SMILES
C/C(=N\NC(=S)N)/C1=CC2=C(CCC2)C=C1
InChI
InChI=1S/C12H15N3S/c1-8(14-15-12(13)16)10-6-5-9-3-2-4-11(9)7-10/h5-7H,2-4H2,1H3,(H3,13,15,16)/b14-8+
InChIKey
IKAGYIWSZLEFNE-RIYZIHGNSA-N
Compound name
[(E)-1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.09866 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.105936 151.8
[M+Na]+ 256.087878 157.5
[M-H]- 232.091384 156.8
[M+NH4]+ 251.132483 172.5
[M+K]+ 272.061818 153.8
[M+H-H2O]+ 216.095920 145.2
[M+HCOO]- 278.096861 171.4
[M+CH3COO]- 292.112511 198.3
[M+Na-2H]- 254.073326 153.3
[M]+ 233.09811142 149.6
[M]- 233.09920858 149.6
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

No patent data available for this compound.