CID 101158

(2-ethyl-1-hydroxyhexyl)phosphonic acid

Structural Information

Molecular Formula
C8H19O4P
SMILES
CCCCC(CC)C(O)P(=O)(O)O
InChI
InChI=1S/C8H19O4P/c1-3-5-6-7(4-2)8(9)13(10,11)12/h7-9H,3-6H2,1-2H3,(H2,10,11,12)
InChIKey
GLYRBOZDGLTONH-UHFFFAOYSA-N
Compound name
(2-ethyl-1-hydroxyhexyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.1021 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10938 149.6
[M+Na]+ 233.09132 155.4
[M+NH4]+ 228.13592 153.9
[M+K]+ 249.06526 153.8
[M-H]- 209.09482 144.6
[M+Na-2H]- 231.07677 148.5
[M]+ 210.10155 148.4
[M]- 210.10265 148.4
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