CID 24707381

2-ethoxyethanethioamide

Structural Information

Molecular Formula
C4H9NOS
SMILES
CCOCC(=S)N
InChI
InChI=1S/C4H9NOS/c1-2-6-3-4(5)7/h2-3H2,1H3,(H2,5,7)
InChIKey
RDWYVXBZSGQAQN-UHFFFAOYSA-N
Compound name
2-ethoxyethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

119.04048 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.04776 122.6
[M+Na]+ 142.02970 129.8
[M-H]- 118.03320 122.8
[M+NH4]+ 137.07430 145.0
[M+K]+ 158.00364 128.7
[M+H-H2O]+ 102.03774 117.7
[M+HCOO]- 164.03868 141.2
[M+CH3COO]- 178.05433 171.0
[M+Na-2H]- 140.01515 125.1
[M]+ 119.03993 123.4
[M]- 119.04103 123.4
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