CID 27413

Schembl1650821

Structural Information

Molecular Formula
C3H8N2OS
SMILES
CNS#CNCO
InChI
InChI=1S/C3H8N2OS/c1-4-7-3-5-2-6/h4-6H,2H2,1H3
InChIKey
BBJPKBLYPSYKMT-UHFFFAOYSA-N
Compound name
[(methylamino-lambda4-sulfanylidyne)methylamino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

120.035736 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.043012 124.6
[M+Na]+ 143.024954 133.4
[M-H]- 119.028460 123.9
[M+NH4]+ 138.069559 144.1
[M+K]+ 158.998894 132.1
[M+H-H2O]+ 103.032996 113.9
[M+HCOO]- 165.033937 139.0
[M+CH3COO]- 179.049587 177.6
[M+Na-2H]- 141.010402 128.9
[M]+ 120.03518742 118.8
[M]- 120.03628458 118.8
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