CID 121552294

2-{[ethyl(methyl)oxo-lambda6-sulfanylidene]amino}acetonitrile

Structural Information

Molecular Formula
C5H10N2OS
SMILES
CCS(=NCC#N)(=O)C
InChI
InChI=1S/C5H10N2OS/c1-3-9(2,8)7-5-4-6/h3,5H2,1-2H3
InChIKey
AYFVNVLIQCAEJC-UHFFFAOYSA-N
Compound name
2-[(ethyl-methyl-oxo-lambda6-sulfanylidene)amino]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.05139 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.058666 133.6
[M+Na]+ 169.040608 143.4
[M-H]- 145.044114 136.7
[M+NH4]+ 164.085213 154.0
[M+K]+ 185.014548 143.3
[M+H-H2O]+ 129.048650 122.3
[M+HCOO]- 191.049591 150.4
[M+CH3COO]- 205.065241 189.4
[M+Na-2H]- 167.026056 138.4
[M]+ 146.05084142 131.9
[M]- 146.05193858 131.9
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.