CID 123119

1520-31-6

Structural Information

Molecular Formula
C2H7NOS
SMILES
CS(=N)(=O)C
InChI
InChI=1S/C2H7NOS/c1-5(2,3)4/h3H,1-2H3
InChIKey
DTGSFFWQUULHIF-UHFFFAOYSA-N
Compound name
imino-dimethyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

817
Patents

93.02483 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.032106 113.2
[M+Na]+ 116.01405 122.2
[M-H]- 92.017554 114.5
[M+NH4]+ 111.05865 137.1
[M+K]+ 131.98799 121.3
[M+H-H2O]+ 76.022090 109.3
[M+HCOO]- 138.02303 132.7
[M+CH3COO]- 152.03868 164.2
[M+Na-2H]- 113.99950 119.4
[M]+ 93.024281 113.7
[M]- 93.025379 113.7
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