CID 3076695

Brn 4752706

Structural Information

Molecular Formula
C11H22NO6P
SMILES
CC(=O)NCCCC(=O)OCCCP(=O)(OC)OC
InChI
InChI=1S/C11H22NO6P/c1-10(13)12-7-4-6-11(14)18-8-5-9-19(15,16-2)17-3/h4-9H2,1-3H3,(H,12,13)
InChIKey
RRTUVQHLPYTNHO-UHFFFAOYSA-N
Compound name
3-dimethoxyphosphorylpropyl 4-acetamidobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.11847 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12575 168.8
[M+Na]+ 318.10769 173.2
[M-H]- 294.11119 167.2
[M+NH4]+ 313.15229 183.4
[M+K]+ 334.08163 174.1
[M+H-H2O]+ 278.11573 160.5
[M+HCOO]- 340.11667 193.7
[M+CH3COO]- 354.13232 204.2
[M+Na-2H]- 316.09314 169.2
[M]+ 295.11792 177.5
[M]- 295.11902 177.5
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.