CID 9588471

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

Structural Information

Molecular Formula
C7H12N2O3S
SMILES
CC1/C(=N/OC(=O)NC)/SCCO1
InChI
InChI=1S/C7H12N2O3S/c1-5-6(13-4-3-11-5)9-12-7(10)8-2/h5H,3-4H2,1-2H3,(H,8,10)/b9-6-
InChIKey
WUPFZGYQHXOTQH-TWGQIWQCSA-N
Compound name
[(Z)-(2-methyl-1,4-oxathian-3-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05687 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06415 142.7
[M+Na]+ 227.04609 147.8
[M-H]- 203.04959 147.8
[M+NH4]+ 222.09069 160.8
[M+K]+ 243.02003 148.3
[M+H-H2O]+ 187.05413 136.0
[M+HCOO]- 249.05507 160.8
[M+CH3COO]- 263.07072 187.0
[M+Na-2H]- 225.03154 146.2
[M]+ 204.05632 142.9
[M]- 204.05742 142.9
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.