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

513
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

literature stripe

Patent stripe

patents stripe