CID 22140960

2-cyclopropylethanethioamide

Structural Information

Molecular Formula
C5H9NS
SMILES
C1CC1CC(=S)N
InChI
InChI=1S/C5H9NS/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H2,6,7)
InChIKey
HRTVZACNFUMRCK-UHFFFAOYSA-N
Compound name
2-cyclopropylethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

115.04557 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.05285 122.7
[M+Na]+ 138.03479 133.5
[M+NH4]+ 133.07939 132.4
[M+K]+ 154.00873 128.0
[M-H]- 114.03829 131.3
[M+Na-2H]- 136.02024 129.7
[M]+ 115.04502 128.0
[M]- 115.04612 128.0
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