CID 28414103

2-(2-hydroxyethoxy)ethanethioamide

Structural Information

Molecular Formula
C4H9NO2S
SMILES
C(COCC(=S)N)O
InChI
InChI=1S/C4H9NO2S/c5-4(8)3-7-2-1-6/h6H,1-3H2,(H2,5,8)
InChIKey
WPLLEKABWMPKFS-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

135.0354 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.042676 126.3
[M+Na]+ 158.024618 132.8
[M-H]- 134.028124 124.8
[M+NH4]+ 153.069223 147.1
[M+K]+ 173.998558 131.2
[M+H-H2O]+ 118.032660 121.3
[M+HCOO]- 180.033601 143.5
[M+CH3COO]- 194.049251 170.4
[M+Na-2H]- 156.010066 128.3
[M]+ 135.03485142 126.5
[M]- 135.03594858 126.5
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