CID 217648

2-dipropylphosphonoethyl acetate

Structural Information

Molecular Formula
C10H21O5P
SMILES
CCCOP(=O)(CCOC(=O)C)OCCC
InChI
InChI=1S/C10H21O5P/c1-4-6-14-16(12,15-7-5-2)9-8-13-10(3)11/h4-9H2,1-3H3
InChIKey
DQBJKAPMTBEDGG-UHFFFAOYSA-N
Compound name
2-dipropoxyphosphorylethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11266 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11994 160.3
[M+Na]+ 275.10188 166.2
[M-H]- 251.10538 159.0
[M+NH4]+ 270.14648 178.2
[M+K]+ 291.07582 166.8
[M+H-H2O]+ 235.10992 152.8
[M+HCOO]- 297.11086 187.1
[M+CH3COO]- 311.12651 194.9
[M+Na-2H]- 273.08733 161.7
[M]+ 252.11211 169.6
[M]- 252.11321 169.6
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.