CID 3393605

Dioctyl (n,n-dimethylcarbamoylmethyl)phosphonate

Structural Information

Molecular Formula
C20H42NO4P
SMILES
CCCCCCCCOP(=O)(CC(=O)N(C)C)OCCCCCCCC
InChI
InChI=1S/C20H42NO4P/c1-5-7-9-11-13-15-17-24-26(23,19-20(22)21(3)4)25-18-16-14-12-10-8-6-2/h5-19H2,1-4H3
InChIKey
PDHZWRRGUNXYMB-UHFFFAOYSA-N
Compound name
2-dioctoxyphosphoryl-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

391.28516 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.29244 208.3
[M+Na]+ 414.27438 218.9
[M-H]- 390.27788 204.0
[M+NH4]+ 409.31898 215.4
[M+K]+ 430.24832 208.2
[M+H-H2O]+ 374.28242 198.4
[M+HCOO]- 436.28336 222.7
[M+CH3COO]- 450.29901 231.0
[M+Na-2H]- 412.25983 203.9
[M]+ 391.28461 209.2
[M]- 391.28571 209.2
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

patents stripe