CID 3084535

Thioformin

Structural Information

Molecular Formula
C2H5NOS
SMILES
CN(C=S)O
InChI
InChI=1S/C2H5NOS/c1-3(4)2-5/h2,4H,1H3
InChIKey
LSLVHNSGLHQBDX-UHFFFAOYSA-N
Compound name
N-hydroxy-N-methylmethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

91.009186 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.016462 113.3
[M+Na]+ 113.998404 121.2
[M-H]- 90.001910 114.3
[M+NH4]+ 109.043009 137.0
[M+K]+ 129.972344 121.1
[M+H-H2O]+ 74.006446 108.8
[M+HCOO]- 136.007387 133.1
[M+CH3COO]- 150.023037 165.6
[M+Na-2H]- 111.983852 117.8
[M]+ 91.00863742 114.3
[M]- 91.00973458 114.3
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