CID 3021044

2-ethylhexyl 2-hydroxyethyl hydrogen phosphate

Structural Information

Molecular Formula
C10H23O5P
SMILES
CCCCC(CC)COP(=O)(O)OCCO
InChI
InChI=1S/C10H23O5P/c1-3-5-6-10(4-2)9-15-16(12,13)14-8-7-11/h10-11H,3-9H2,1-2H3,(H,12,13)
InChIKey
VCSZVNWYOBIYIV-UHFFFAOYSA-N
Compound name
2-ethylhexyl 2-hydroxyethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12831 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13559 164.2
[M+Na]+ 277.11753 168.6
[M-H]- 253.12103 159.8
[M+NH4]+ 272.16213 180.4
[M+K]+ 293.09147 168.0
[M+H-H2O]+ 237.12557 156.8
[M+HCOO]- 299.12651 187.5
[M+CH3COO]- 313.14216 191.3
[M+Na-2H]- 275.10298 164.3
[M]+ 254.12776 170.2
[M]- 254.12886 170.2
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.