CID 2733224

1-methylimidazolidine-2-thione

Structural Information

Molecular Formula
C4H8N2S
SMILES
CN1CCNC1=S
InChI
InChI=1S/C4H8N2S/c1-6-3-2-5-4(6)7/h2-3H2,1H3,(H,5,7)
InChIKey
FDDDTDSPQXLQFY-UHFFFAOYSA-N
Compound name
1-methylimidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

360
Patents

116.04082 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.048096 122.1
[M+Na]+ 139.030038 130.9
[M-H]- 115.033544 122.0
[M+NH4]+ 134.074643 144.0
[M+K]+ 155.003978 128.7
[M+H-H2O]+ 99.038080 116.5
[M+HCOO]- 161.039021 137.0
[M+CH3COO]- 175.054671 164.0
[M+Na-2H]- 137.015486 123.4
[M]+ 116.04027142 119.2
[M]- 116.04136858 119.2
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