CID 86392

Dibutyl 2-hydroxyethyl phosphate

Structural Information

Molecular Formula
C10H23O5P
SMILES
CCCCOP(=O)(OCCCC)OCCO
InChI
InChI=1S/C10H23O5P/c1-3-5-8-13-16(12,15-10-7-11)14-9-6-4-2/h11H,3-10H2,1-2H3
InChIKey
IHYIUHPLGDTUKJ-UHFFFAOYSA-N
Compound name
dibutyl 2-hydroxyethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

254.12831 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13559 163.0
[M+Na]+ 277.11753 168.1
[M-H]- 253.12103 159.9
[M+NH4]+ 272.16213 180.0
[M+K]+ 293.09147 167.9
[M+H-H2O]+ 237.12557 155.3
[M+HCOO]- 299.12651 188.9
[M+CH3COO]- 313.14216 193.1
[M+Na-2H]- 275.10298 164.9
[M]+ 254.12776 171.6
[M]- 254.12886 171.6
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

patents stripe