CID 2723650

Imidazolidine-2-thione

Structural Information

Molecular Formula
C3H6N2S
SMILES
C1CNC(=S)N1
InChI
InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
InChIKey
PDQAZBWRQCGBEV-UHFFFAOYSA-N
Compound name
imidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

385
References

23282
Patents

102.02517 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.03245 118.7
[M+Na]+ 125.01439 126.6
[M-H]- 101.01789 117.0
[M+NH4]+ 120.05899 140.1
[M+K]+ 140.98833 123.8
[M+H-H2O]+ 85.022430 113.2
[M+HCOO]- 147.02337 132.4
[M+CH3COO]- 161.03902 157.2
[M+Na-2H]- 122.99984 120.7
[M]+ 102.02462 113.2
[M]- 102.02572 113.2
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