CID 205846

18853-27-5

Structural Information

Molecular Formula
C9H14NO6PS
SMILES
CCOP(=S)(OCC)OC1=NOC(=C1)C(=O)OC
InChI
InChI=1S/C9H14NO6PS/c1-4-13-17(18,14-5-2)16-8-6-7(15-10-8)9(11)12-3/h6H,4-5H2,1-3H3
InChIKey
CBNDYHJSOYIXMQ-UHFFFAOYSA-N
Compound name
methyl 3-diethoxyphosphinothioyloxy-1,2-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.02795 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.03523 161.3
[M+Na]+ 318.01717 168.8
[M-H]- 294.02067 163.6
[M+NH4]+ 313.06177 176.9
[M+K]+ 333.99111 170.1
[M+H-H2O]+ 278.02521 152.8
[M+HCOO]- 340.02615 184.0
[M+CH3COO]- 354.04180 197.0
[M+Na-2H]- 316.00262 161.5
[M]+ 295.02740 172.4
[M]- 295.02850 172.4
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.