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

39
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 117.2
[M+Na]+ 138.03479 125.8
[M-H]- 114.03829 121.6
[M+NH4]+ 133.07939 134.8
[M+K]+ 154.00873 123.1
[M+H-H2O]+ 98.042830 111.3
[M+HCOO]- 160.04377 136.0
[M+CH3COO]- 174.05942 174.2
[M+Na-2H]- 136.02024 120.4
[M]+ 115.04502 118.2
[M]- 115.04612 118.2
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