CID 5277341

2,3-dihydro-1h-inden-2-ylthiourea

Structural Information

Molecular Formula
C10H12N2S
SMILES
C1C(CC2=CC=CC=C21)NC(=S)N
InChI
InChI=1S/C10H12N2S/c11-10(13)12-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H3,11,12,13)
InChIKey
NTJZRISBWCBRHI-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-inden-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

192.07211 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07939 139.5
[M+Na]+ 215.06133 146.7
[M-H]- 191.06483 143.6
[M+NH4]+ 210.10593 161.8
[M+K]+ 231.03527 142.7
[M+H-H2O]+ 175.06937 134.1
[M+HCOO]- 237.07031 158.3
[M+CH3COO]- 251.08596 185.4
[M+Na-2H]- 213.04678 142.2
[M]+ 192.07156 137.0
[M]- 192.07266 137.0
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.