CID 112008

10140-81-5

Structural Information

Molecular Formula
C20H39O7P
SMILES
CCCCOC(=O)CC(C(=O)OCCCC)P(=O)(OCCCC)OCCCC
InChI
InChI=1S/C20H39O7P/c1-5-9-13-24-19(21)17-18(20(22)25-14-10-6-2)28(23,26-15-11-7-3)27-16-12-8-4/h18H,5-17H2,1-4H3
InChIKey
GGOVRPUILUBRCW-UHFFFAOYSA-N
Compound name
dibutyl 2-dibutoxyphosphorylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

422.24335 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.25063 207.2
[M+Na]+ 445.23257 213.8
[M-H]- 421.23607 203.1
[M+NH4]+ 440.27717 215.5
[M+K]+ 461.20651 208.9
[M+H-H2O]+ 405.24061 202.2
[M+HCOO]- 467.24155 218.9
[M+CH3COO]- 481.25720 228.4
[M+Na-2H]- 443.21802 195.9
[M]+ 422.24280 208.0
[M]- 422.24390 208.0
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

patents stripe