CID 247164

Nsc61286

Structural Information

Molecular Formula
C11H23N2O5P
SMILES
CCOP(=O)(CC(=O)NC(C(C)C)C(=O)N)OCC
InChI
InChI=1S/C11H23N2O5P/c1-5-17-19(16,18-6-2)7-9(14)13-10(8(3)4)11(12)15/h8,10H,5-7H2,1-4H3,(H2,12,15)(H,13,14)
InChIKey
MBZDPLXDDHXYNL-UHFFFAOYSA-N
Compound name
2-[(2-diethoxyphosphorylacetyl)amino]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13446 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14174 170.7
[M+Na]+ 317.12368 173.6
[M-H]- 293.12718 168.6
[M+NH4]+ 312.16828 181.5
[M+K]+ 333.09762 174.9
[M+H-H2O]+ 277.13172 162.3
[M+HCOO]- 339.13266 184.0
[M+CH3COO]- 353.14831 209.1
[M+Na-2H]- 315.10913 167.5
[M]+ 294.13391 174.6
[M]- 294.13501 174.6
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.