CID 69794

N,n-dimethylthioformamide

Structural Information

Molecular Formula
C3H7NS
SMILES
CN(C)C=S
InChI
InChI=1S/C3H7NS/c1-4(2)3-5/h3H,1-2H3
InChIKey
SKECXRFZFFAANN-UHFFFAOYSA-N
Compound name
N,N-dimethylmethanethioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

3823
Patents

89.02992 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.037196 113.6
[M+Na]+ 112.01914 121.7
[M-H]- 88.022644 116.1
[M+NH4]+ 107.06374 138.3
[M+K]+ 127.99308 122.0
[M+H-H2O]+ 72.027180 108.9
[M+HCOO]- 134.02812 134.3
[M+CH3COO]- 148.04377 169.5
[M+Na-2H]- 110.00459 118.1
[M]+ 89.029371 115.5
[M]- 89.030469 115.5
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.