CID 11407008

654636-62-1

Structural Information

Molecular Formula
C17H36NO6P
SMILES
CCOP(=O)(C(C(C)(C)C)N(C(C)(C)C)OC(C)(C)C(=O)O)OCC
InChI
InChI=1S/C17H36NO6P/c1-11-22-25(21,23-12-2)13(15(3,4)5)18(16(6,7)8)24-17(9,10)14(19)20/h13H,11-12H2,1-10H3,(H,19,20)
InChIKey
LHCFAZQDKKRUDE-UHFFFAOYSA-N
Compound name
2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

283
Patents

381.22803 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.23531 188.5
[M+Na]+ 404.21725 196.0
[M-H]- 380.22075 194.2
[M+NH4]+ 399.26185 199.5
[M+K]+ 420.19119 193.7
[M+H-H2O]+ 364.22529 177.8
[M+HCOO]- 426.22623 201.7
[M+CH3COO]- 440.24188 225.0
[M+Na-2H]- 402.20270 180.3
[M]+ 381.22748 192.5
[M]- 381.22858 192.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe