CID 12961

2-mercaptoacetamide

Structural Information

Molecular Formula
C2H5NOS
SMILES
C(C(=O)N)S
InChI
InChI=1S/C2H5NOS/c3-2(4)1-5/h5H,1H2,(H2,3,4)
InChIKey
GYXHHICIFZSKKZ-UHFFFAOYSA-N
Compound name
2-sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

53
References

5056
Patents

91.009186 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.016462 113.7
[M+Na]+ 113.99840 121.7
[M-H]- 90.001910 114.2
[M+NH4]+ 109.04301 137.2
[M+K]+ 129.97234 121.1
[M+H-H2O]+ 74.006446 109.2
[M+HCOO]- 136.00739 132.8
[M+CH3COO]- 150.02304 164.9
[M+Na-2H]- 111.98385 117.1
[M]+ 91.008637 113.7
[M]- 91.009735 113.7
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