CID 3072136

Thiourea, (2,3-dihydro-2-hydroxy-1h-inden-1-yl)-, trans-

Structural Information

Molecular Formula
C10H12N2OS
SMILES
C1[C@H]([C@@H](C2=CC=CC=C21)NC(=S)N)O
InChI
InChI=1S/C10H12N2OS/c11-10(14)12-9-7-4-2-1-3-6(7)5-8(9)13/h1-4,8-9,13H,5H2,(H3,11,12,14)/t8-,9-/m1/s1
InChIKey
VYMANYOHQDLION-RKDXNWHRSA-N
Compound name
[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

208.06703 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07431 143.3
[M+Na]+ 231.05625 152.0
[M+NH4]+ 226.10085 152.1
[M+K]+ 247.03019 146.6
[M-H]- 207.05975 145.7
[M+Na-2H]- 229.04170 146.9
[M]+ 208.06648 145.3
[M]- 208.06758 145.3
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.