CID 55286087

4-methylpyrrolidine-2-thione

Structural Information

Molecular Formula
C5H9NS
SMILES
CC1CC(=S)NC1
InChI
InChI=1S/C5H9NS/c1-4-2-5(7)6-3-4/h4H,2-3H2,1H3,(H,6,7)
InChIKey
IGFBKHUIXUZQKL-UHFFFAOYSA-N
Compound name
4-methylpyrrolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

115.04557 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.052846 122.3
[M+Na]+ 138.034788 130.6
[M-H]- 114.038294 123.5
[M+NH4]+ 133.079393 145.5
[M+K]+ 154.008728 128.2
[M+H-H2O]+ 98.042830 117.4
[M+HCOO]- 160.043771 138.1
[M+CH3COO]- 174.059421 164.2
[M+Na-2H]- 136.020236 123.4
[M]+ 115.04502142 119.2
[M]- 115.04611858 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

No literature data available for this compound.

Patent stripe

patents stripe