CID 13600391

Ethyl(imino)methyl-lamda(6)-sulfanone

Structural Information

Molecular Formula
C3H9NOS
SMILES
CCS(=N)(=O)C
InChI
InChI=1S/C3H9NOS/c1-3-6(2,4)5/h4H,3H2,1-2H3
InChIKey
VGQYFOJSWJEAII-UHFFFAOYSA-N
Compound name
ethyl-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

107.04048 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.04776 121.0
[M+Na]+ 130.02970 130.4
[M+NH4]+ 125.07430 129.2
[M+K]+ 146.00364 124.0
[M-H]- 106.03320 120.5
[M+Na-2H]- 128.01515 124.5
[M]+ 107.03993 122.5
[M]- 107.04103 122.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe