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]+ 217.064146 147.7
[M+Na]+ 239.046088 153.8
[M-H]- 215.049594 153.0
[M+NH4]+ 234.090693 167.2
[M+K]+ 255.020028 153.4
[M+H-H2O]+ 199.054130 141.5
[M+HCOO]- 261.055071 167.8
[M+CH3COO]- 275.070721 188.8
[M+Na-2H]- 237.031536 149.4
[M]+ 216.05632142 149.8
[M]- 216.05741858 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.