CID 3032483

N-methylethanethioamide

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

234
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 116.3
[M+Na]+ 112.01914 126.2
[M+NH4]+ 107.06374 125.6
[M+K]+ 127.99308 119.1
[M-H]- 88.022644 117.1
[M+Na-2H]- 110.00459 120.4
[M]+ 89.029371 118.2
[M]- 89.030469 118.2
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