CID 13924200

2-hydroxyethanethioamide

Structural Information

Molecular Formula
C2H5NOS
SMILES
C(C(=S)N)O
InChI
InChI=1S/C2H5NOS/c3-2(5)1-4/h4H,1H2,(H2,3,5)
InChIKey
QTNWIBQLURUPJO-UHFFFAOYSA-N
Compound name
2-hydroxyethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

91.009186 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.016462 114.3
[M+Na]+ 113.99840 121.8
[M-H]- 90.001910 113.3
[M+NH4]+ 109.04301 137.0
[M+K]+ 129.97234 120.3
[M+H-H2O]+ 74.006446 110.0
[M+HCOO]- 136.00739 131.9
[M+CH3COO]- 150.02304 162.2
[M+Na-2H]- 111.98385 117.2
[M]+ 91.008637 112.4
[M]- 91.009735 112.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe