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

10
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

literature stripe

Patent stripe

patents stripe