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]+ 240.08179 154.1
[M+Na]+ 262.06373 159.4
[M-H]- 238.06723 152.9
[M+NH4]+ 257.10833 172.5
[M+K]+ 278.03767 158.3
[M+H-H2O]+ 222.07177 146.0
[M+HCOO]- 284.07271 176.7
[M+CH3COO]- 298.08836 193.4
[M+Na-2H]- 260.04918 153.4
[M]+ 239.07396 160.3
[M]- 239.07506 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.