CID 207723

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

Structural Information

Molecular Formula
C12H26NO3PS
SMILES
CCCCCCCCCC(=O)NP(=O)(OC)SC
InChI
InChI=1S/C12H26NO3PS/c1-4-5-6-7-8-9-10-11-12(14)13-17(15,16-2)18-3/h4-11H2,1-3H3,(H,13,14,15)
InChIKey
IEZUPBZYTVEPKU-UHFFFAOYSA-N
Compound name
N-[methoxy(methylsulfanyl)phosphoryl]decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13712 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14440 172.3
[M+Na]+ 318.12634 175.9
[M-H]- 294.12984 170.3
[M+NH4]+ 313.17094 188.4
[M+K]+ 334.10028 173.8
[M+H-H2O]+ 278.13438 163.4
[M+HCOO]- 340.13532 193.7
[M+CH3COO]- 354.15097 205.4
[M+Na-2H]- 316.11179 169.7
[M]+ 295.13657 180.0
[M]- 295.13767 180.0
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.