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

42
Patents

115.04557 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.052846 117.2
[M+Na]+ 138.034788 125.8
[M-H]- 114.038294 121.6
[M+NH4]+ 133.079393 134.8
[M+K]+ 154.008728 123.1
[M+H-H2O]+ 98.042830 111.3
[M+HCOO]- 160.043771 136.0
[M+CH3COO]- 174.059421 174.2
[M+Na-2H]- 136.020236 120.4
[M]+ 115.04502142 118.2
[M]- 115.04611858 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