CID 9570988

Syn-2-ethyl-1,4-oxathian-3-one o-((methylamino)carbonyl)oxime

Structural Information

Molecular Formula
C8H14N2O3S
SMILES
CCC1/C(=N/OC(=O)NC)/SCCO1
InChI
InChI=1S/C8H14N2O3S/c1-3-6-7(14-5-4-12-6)10-13-8(11)9-2/h6H,3-5H2,1-2H3,(H,9,11)/b10-7-
InChIKey
UGUFIYWETUMPFW-YFHOEESVSA-N
Compound name
[(Z)-(2-ethyl-1,4-oxathian-3-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.07251 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.079786 147.1
[M+Na]+ 241.061728 151.8
[M-H]- 217.065234 152.0
[M+NH4]+ 236.106333 164.7
[M+K]+ 257.035668 152.1
[M+H-H2O]+ 201.069770 140.3
[M+HCOO]- 263.070711 164.9
[M+CH3COO]- 277.086361 190.0
[M+Na-2H]- 239.047176 150.1
[M]+ 218.07196142 147.7
[M]- 218.07305858 147.7
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

No patent data available for this compound.