CID 3032483

N-methylthioacetamide

Structural Information

Molecular Formula
C3H7NS
SMILES
CC(=S)NC
InChI
InChI=1S/C3H7NS/c1-3(5)4-2/h1-2H3,(H,4,5)
InChIKey
BNLLHLUAOXAUNQ-UHFFFAOYSA-N
Compound name
N-methylethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

545
Patents

89.02992 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.037196 114.5
[M+Na]+ 112.01914 122.2
[M-H]- 88.022644 115.5
[M+NH4]+ 107.06374 138.5
[M+K]+ 127.99308 121.5
[M+H-H2O]+ 72.027180 110.1
[M+HCOO]- 134.02812 133.7
[M+CH3COO]- 148.04377 166.0
[M+Na-2H]- 110.00459 118.5
[M]+ 89.029371 114.4
[M]- 89.030469 114.4
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

No patent data available for this compound.