CID 9570989

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

Structural Information

Molecular Formula
C8H14N2O3S
SMILES
CC1(/C(=N/OC(=O)NC)/SCCO1)C
InChI
InChI=1S/C8H14N2O3S/c1-8(2)6(14-5-4-12-8)10-13-7(11)9-3/h4-5H2,1-3H3,(H,9,11)/b10-6-
InChIKey
BHJWHKWBWVXLJR-POHAHGRESA-N
Compound name
[(Z)-(2,2-dimethyl-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

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.079786 145.3
[M+Na]+ 241.061728 150.8
[M-H]- 217.065234 150.4
[M+NH4]+ 236.106333 164.9
[M+K]+ 257.035668 151.5
[M+H-H2O]+ 201.069770 139.6
[M+HCOO]- 263.070711 163.1
[M+CH3COO]- 277.086361 189.6
[M+Na-2H]- 239.047176 150.0
[M]+ 218.07196142 146.4
[M]- 218.07305858 146.4
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.