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

0
Patents

210.1021 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.109376 153.7
[M+Na]+ 233.091318 158.4
[M-H]- 209.094824 148.3
[M+NH4]+ 228.135923 170.9
[M+K]+ 249.065258 157.4
[M+H-H2O]+ 193.099360 147.2
[M+HCOO]- 255.100301 174.9
[M+CH3COO]- 269.115951 181.5
[M+Na-2H]- 231.076766 152.7
[M]+ 210.10155142 154.8
[M]- 210.10264858 154.8
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