CID 207727

(1-oxohexyl)phosphoramidothioic acid o,s-dimethyl ester

Structural Information

Molecular Formula
C8H18NO3PS
SMILES
CCCCCC(=O)NP(=O)(OC)SC
InChI
InChI=1S/C8H18NO3PS/c1-4-5-6-7-8(10)9-13(11,12-2)14-3/h4-7H2,1-3H3,(H,9,10,11)
InChIKey
HKLZEKPTKPZRQB-UHFFFAOYSA-N
Compound name
N-[methoxy(methylsulfanyl)phosphoryl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.07451 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.081786 154.1
[M+Na]+ 262.063728 159.4
[M-H]- 238.067234 152.9
[M+NH4]+ 257.108333 172.5
[M+K]+ 278.037668 158.3
[M+H-H2O]+ 222.071770 146.0
[M+HCOO]- 284.072711 176.7
[M+CH3COO]- 298.088361 193.4
[M+Na-2H]- 260.049176 153.4
[M]+ 239.07396142 160.3
[M]- 239.07505858 160.3
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.