CID 5272049

Chembl118238

Structural Information

Molecular Formula
C6H15O3P
SMILES
CCCCP(=O)(O)OCC
InChI
InChI=1S/C6H15O3P/c1-3-5-6-10(7,8)9-4-2/h3-6H2,1-2H3,(H,7,8)
InChIKey
RDKFCARAWNLFDR-UHFFFAOYSA-N
Compound name
butyl(ethoxy)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

52
Patents

166.07588 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08316 139.5
[M+Na]+ 189.06510 146.6
[M-H]- 165.06860 137.3
[M+NH4]+ 184.10970 160.3
[M+K]+ 205.03904 146.3
[M+H-H2O]+ 149.07314 133.2
[M+HCOO]- 211.07408 166.3
[M+CH3COO]- 225.08973 176.9
[M+Na-2H]- 187.05055 143.1
[M]+ 166.07533 143.8
[M]- 166.07643 143.8
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

No patent data available for this compound.