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]+ 219.07979 147.1
[M+Na]+ 241.06173 151.8
[M-H]- 217.06523 152.0
[M+NH4]+ 236.10633 164.7
[M+K]+ 257.03567 152.1
[M+H-H2O]+ 201.06977 140.3
[M+HCOO]- 263.07071 164.9
[M+CH3COO]- 277.08636 190.0
[M+Na-2H]- 239.04718 150.1
[M]+ 218.07196 147.7
[M]- 218.07306 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.