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]+ 234.10594 151.8
[M+Na]+ 256.08788 157.5
[M-H]- 232.09138 156.8
[M+NH4]+ 251.13248 172.5
[M+K]+ 272.06182 153.8
[M+H-H2O]+ 216.09592 145.2
[M+HCOO]- 278.09686 171.4
[M+CH3COO]- 292.11251 198.3
[M+Na-2H]- 254.07333 153.3
[M]+ 233.09811 149.6
[M]- 233.09921 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.