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]+ 219.07979 145.3
[M+Na]+ 241.06173 150.8
[M-H]- 217.06523 150.4
[M+NH4]+ 236.10633 164.9
[M+K]+ 257.03567 151.5
[M+H-H2O]+ 201.06977 139.6
[M+HCOO]- 263.07071 163.1
[M+CH3COO]- 277.08636 189.6
[M+Na-2H]- 239.04718 150.0
[M]+ 218.07196 146.4
[M]- 218.07306 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.