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]+ 205.064146 142.7
[M+Na]+ 227.046088 147.8
[M-H]- 203.049594 147.8
[M+NH4]+ 222.090693 160.8
[M+K]+ 243.020028 148.3
[M+H-H2O]+ 187.054130 136.0
[M+HCOO]- 249.055071 160.8
[M+CH3COO]- 263.070721 187.0
[M+Na-2H]- 225.031536 146.2
[M]+ 204.05632142 142.9
[M]- 204.05741858 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.