CID 3072136

[(1r,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]thiourea

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 142.8
[M+Na]+ 231.05625 150.2
[M-H]- 207.05975 145.7
[M+NH4]+ 226.10085 163.8
[M+K]+ 247.03019 145.8
[M+H-H2O]+ 191.06429 137.7
[M+HCOO]- 253.06523 160.2
[M+CH3COO]- 267.08088 186.2
[M+Na-2H]- 229.04170 144.6
[M]+ 208.06648 140.3
[M]- 208.06758 140.3
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.