CID 20121366

3-methoxypropanethioamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

119.04048 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.047756 122.6
[M+Na]+ 142.029698 129.8
[M-H]- 118.033204 122.8
[M+NH4]+ 137.074303 145.0
[M+K]+ 158.003638 128.7
[M+H-H2O]+ 102.037740 117.7
[M+HCOO]- 164.038681 141.2
[M+CH3COO]- 178.054331 171.0
[M+Na-2H]- 140.015146 125.1
[M]+ 119.03993142 123.4
[M]- 119.04102858 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