CID 5365286

Methomyl oxime

Structural Information

Molecular Formula
C3H7NOS
SMILES
C/C(=N\O)/SC
InChI
InChI=1S/C3H7NOS/c1-3(4-5)6-2/h5H,1-2H3/b4-3+
InChIKey
TYEVWCPZVQACAE-ONEGZZNKSA-N
Compound name
methyl (1E)-N-hydroxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

3
References

212
Patents

105.02483 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.032106 118.2
[M+Na]+ 128.014048 125.9
[M-H]- 104.017554 119.2
[M+NH4]+ 123.058653 141.6
[M+K]+ 143.987988 125.5
[M+H-H2O]+ 88.022090 113.5
[M+HCOO]- 150.023031 137.7
[M+CH3COO]- 164.038681 167.3
[M+Na-2H]- 125.999496 122.2
[M]+ 105.02428142 119.4
[M]- 105.02537858 119.4
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