CID 6507077

Stauffer r 16661

Structural Information

Molecular Formula
C8H17N2O3PS
SMILES
CCN\1CC(O/C1=N/P(=O)(OC)SC)C
InChI
InChI=1S/C8H17N2O3PS/c1-5-10-6-7(2)13-8(10)9-14(11,12-3)15-4/h7H,5-6H2,1-4H3/b9-8+
InChIKey
JCYANUVOCLKHHY-CMDGGOBGSA-N
Compound name
(E)-3-ethyl-N-[methoxy(methylsulfanyl)phosphoryl]-5-methyl-1,3-oxazolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.06975 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07703 154.3
[M+Na]+ 275.05897 161.5
[M-H]- 251.06247 157.5
[M+NH4]+ 270.10357 172.5
[M+K]+ 291.03291 162.0
[M+H-H2O]+ 235.06701 145.9
[M+HCOO]- 297.06795 177.1
[M+CH3COO]- 311.08360 196.3
[M+Na-2H]- 273.04442 153.7
[M]+ 252.06920 160.1
[M]- 252.07030 160.1
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.