CID 161356

Mc 2951

Structural Information

Molecular Formula
C9H14NO4PS
SMILES
CC1=CC(=CC(=O)N1C)OP(=S)(OC)OC
InChI
InChI=1S/C9H14NO4PS/c1-7-5-8(6-9(11)10(7)2)14-15(16,12-3)13-4/h5-6H,1-4H3
InChIKey
FLPJISDBJCTMBC-UHFFFAOYSA-N
Compound name
4-dimethoxyphosphinothioyloxy-1,6-dimethylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.03812 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.04540 152.0
[M+Na]+ 286.02734 161.8
[M-H]- 262.03084 154.2
[M+NH4]+ 281.07194 169.1
[M+K]+ 302.00128 160.2
[M+H-H2O]+ 246.03538 143.3
[M+HCOO]- 308.03632 175.2
[M+CH3COO]- 322.05197 195.1
[M+Na-2H]- 284.01279 152.6
[M]+ 263.03757 160.5
[M]- 263.03867 160.5
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.