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

5
Patents

144.03574 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.043016 128.6
[M+Na]+ 167.024958 135.7
[M-H]- 143.028464 132.1
[M+NH4]+ 162.069563 151.2
[M+K]+ 182.998898 135.8
[M+H-H2O]+ 127.033000 122.6
[M+HCOO]- 189.033941 150.7
[M+CH3COO]- 203.049591 182.5
[M+Na-2H]- 165.010406 131.7
[M]+ 144.03519142 131.5
[M]- 144.03628858 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