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]+ 193.079386 139.5
[M+Na]+ 215.061328 146.7
[M-H]- 191.064834 143.6
[M+NH4]+ 210.105933 161.8
[M+K]+ 231.035268 142.7
[M+H-H2O]+ 175.069370 134.1
[M+HCOO]- 237.070311 158.3
[M+CH3COO]- 251.085961 185.4
[M+Na-2H]- 213.046776 142.2
[M]+ 192.07156142 137.0
[M]- 192.07265858 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

patents stripe