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]+ 147.05867 133.6
[M+Na]+ 169.04061 143.4
[M-H]- 145.04411 136.7
[M+NH4]+ 164.08521 154.0
[M+K]+ 185.01455 143.3
[M+H-H2O]+ 129.04865 122.3
[M+HCOO]- 191.04959 150.4
[M+CH3COO]- 205.06524 189.4
[M+Na-2H]- 167.02606 138.4
[M]+ 146.05084 131.9
[M]- 146.05194 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.