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

4
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 128.6
[M+Na]+ 167.02496 135.7
[M-H]- 143.02846 132.1
[M+NH4]+ 162.06956 151.2
[M+K]+ 182.99890 135.8
[M+H-H2O]+ 127.03300 122.6
[M+HCOO]- 189.03394 150.7
[M+CH3COO]- 203.04959 182.5
[M+Na-2H]- 165.01041 131.7
[M]+ 144.03519 131.5
[M]- 144.03629 131.5
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

patents stripe