CID 3073814

Dl-aspartic acid, n-acetyl-, bis(2-(dimethoxyphosphinyl)ethyl) ester

Structural Information

Molecular Formula
C14H27NO11P2
SMILES
CC(=O)N[C@@H](CC(=O)OCCP(=O)(OC)OC)C(=O)OCCP(=O)(OC)OC
InChI
InChI=1S/C14H27NO11P2/c1-11(16)15-12(14(18)26-7-9-28(20,23-4)24-5)10-13(17)25-6-8-27(19,21-2)22-3/h12H,6-10H2,1-5H3,(H,15,16)/t12-/m0/s1
InChIKey
WPVYAYAJXDLJAT-LBPRGKRZSA-N
Compound name
bis(2-dimethoxyphosphorylethyl) (2S)-2-acetamidobutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.10593 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.11321 196.1
[M+Na]+ 470.09515 208.9
[M+NH4]+ 465.13975 215.0
[M+K]+ 486.06909 205.4
[M-H]- 446.09865 206.1
[M+Na-2H]- 468.08060 212.4
[M]+ 447.10538 206.2
[M]- 447.10648 206.2
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

No patent data available for this compound.