CID 43310985

2-isothiocyanato-n,n-dimethylacetamide

Structural Information

Molecular Formula
C5H8N2OS
SMILES
CN(C)C(=O)CN=C=S
InChI
InChI=1S/C5H8N2OS/c1-7(2)5(8)3-6-4-9/h3H2,1-2H3
InChIKey
LYUDHYFVCISADE-UHFFFAOYSA-N
Compound name
2-isothiocyanato-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

144.03574 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04302 131.6
[M+Na]+ 167.02496 140.1
[M+NH4]+ 162.06956 139.4
[M+K]+ 182.99890 133.4
[M-H]- 143.02846 132.2
[M+Na-2H]- 165.01041 134.9
[M]+ 144.03519 133.0
[M]- 144.03629 133.0
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

patents stripe