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]+ 209.074306 142.8
[M+Na]+ 231.056248 150.2
[M-H]- 207.059754 145.7
[M+NH4]+ 226.100853 163.8
[M+K]+ 247.030188 145.8
[M+H-H2O]+ 191.064290 137.7
[M+HCOO]- 253.065231 160.2
[M+CH3COO]- 267.080881 186.2
[M+Na-2H]- 229.041696 144.6
[M]+ 208.06648142 140.3
[M]- 208.06757858 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.