CID 11084454

Schembl8985669

Structural Information

Molecular Formula
C9H10N2S
SMILES
C1[C@@H](NC(=S)N1)C2=CC=CC=C2
InChI
InChI=1S/C9H10N2S/c12-9-10-6-8(11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11,12)/t8-/m1/s1
InChIKey
MABUPVNEGYIKOI-MRVPVSSYSA-N
Compound name
(4S)-4-phenylimidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

178.05647 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06375 137.1
[M+Na]+ 201.04569 145.1
[M-H]- 177.04919 138.6
[M+NH4]+ 196.09029 155.6
[M+K]+ 217.01963 139.7
[M+H-H2O]+ 161.05373 130.6
[M+HCOO]- 223.05467 150.8
[M+CH3COO]- 237.07032 148.9
[M+Na-2H]- 199.03114 138.2
[M]+ 178.05592 131.9
[M]- 178.05702 131.9
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.