CID 3073813

2-(dimethoxyphosphinyl)ethyl 4-(acetylamino)butanoate

Structural Information

Molecular Formula
C10H20NO6P
SMILES
CC(=O)NCCCC(=O)OCCP(=O)(OC)OC
InChI
InChI=1S/C10H20NO6P/c1-9(12)11-6-4-5-10(13)17-7-8-18(14,15-2)16-3/h4-8H2,1-3H3,(H,11,12)
InChIKey
YLLCFUXEWITPGF-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphorylethyl 4-acetamidobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1028 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11008 164.1
[M+Na]+ 304.09202 168.8
[M-H]- 280.09552 162.7
[M+NH4]+ 299.13662 180.2
[M+K]+ 320.06596 170.0
[M+H-H2O]+ 264.10006 156.0
[M+HCOO]- 326.10100 191.2
[M+CH3COO]- 340.11665 201.2
[M+Na-2H]- 302.07747 164.9
[M]+ 281.10225 172.3
[M]- 281.10335 172.3
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.