CID 2777312

4-methylimidazolidine-2-thione

Structural Information

Molecular Formula
C4H8N2S
SMILES
CC1CNC(=S)N1
InChI
InChI=1S/C4H8N2S/c1-3-2-5-4(7)6-3/h3H,2H2,1H3,(H2,5,6,7)
InChIKey
NGZJXCFNBVJLQN-UHFFFAOYSA-N
Compound name
4-methylimidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

304
Patents

116.04082 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.04810 122.9
[M+Na]+ 139.03004 131.2
[M-H]- 115.03354 121.3
[M+NH4]+ 134.07464 144.0
[M+K]+ 155.00398 128.0
[M+H-H2O]+ 99.038080 117.5
[M+HCOO]- 161.03902 136.2
[M+CH3COO]- 175.05467 161.3
[M+Na-2H]- 137.01549 123.7
[M]+ 116.04027 118.1
[M]- 116.04137 118.1
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