CID 9577635

Syn-5-methyl-1,3-oxathiolan-4-one o-((acetylmethylamino)carbonyl)oxime

Structural Information

Molecular Formula
C8H12N2O3S
SMILES
CC1/C(=N/OC(=O)NCC=C)/SCO1
InChI
InChI=1S/C8H12N2O3S/c1-3-4-9-8(11)13-10-7-6(2)12-5-14-7/h3,6H,1,4-5H2,2H3,(H,9,11)/b10-7-
InChIKey
GPGGSTVLQNATJF-YFHOEESVSA-N
Compound name
[(Z)-(5-methyl-1,3-oxathiolan-4-ylidene)amino] N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.05687 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06415 147.7
[M+Na]+ 239.04609 153.8
[M-H]- 215.04959 153.0
[M+NH4]+ 234.09069 167.2
[M+K]+ 255.02003 153.4
[M+H-H2O]+ 199.05413 141.5
[M+HCOO]- 261.05507 167.8
[M+CH3COO]- 275.07072 188.8
[M+Na-2H]- 237.03154 149.4
[M]+ 216.05632 149.8
[M]- 216.05742 149.8
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.