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

3802
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

literature stripe

Patent stripe

patents stripe