CID 5272050

Chembl325304

Structural Information

Molecular Formula
C9H21O3P
SMILES
CCCCCCCP(=O)(O)OCC
InChI
InChI=1S/C9H21O3P/c1-3-5-6-7-8-9-13(10,11)12-4-2/h3-9H2,1-2H3,(H,10,11)
InChIKey
HCDLTAHUJKIXJE-UHFFFAOYSA-N
Compound name
ethoxy(heptyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

208.12283 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13011 153.9
[M+Na]+ 231.11205 159.7
[M-H]- 207.11555 151.1
[M+NH4]+ 226.15665 172.9
[M+K]+ 247.08599 158.6
[M+H-H2O]+ 191.12009 146.9
[M+HCOO]- 253.12103 179.6
[M+CH3COO]- 267.13668 186.0
[M+Na-2H]- 229.09750 155.8
[M]+ 208.12228 159.3
[M]- 208.12338 159.3
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.