CID 13600391

35362-83-5

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

59
Patents

107.04048 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.047756 117.7
[M+Na]+ 130.029698 126.2
[M-H]- 106.033204 118.8
[M+NH4]+ 125.074303 141.1
[M+K]+ 146.003638 125.1
[M+H-H2O]+ 90.037740 113.6
[M+HCOO]- 152.038681 136.9
[M+CH3COO]- 166.054331 167.2
[M+Na-2H]- 128.015146 123.4
[M]+ 107.03993142 118.6
[M]- 107.04102858 118.6
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