CID 121596015

2-dodecoxyethoxymethylphosphonic acid

Structural Information

Molecular Formula
C15H33O5P
SMILES
CCCCCCCCCCCCOCCOCP(=O)(O)O
InChI
InChI=1S/C15H33O5P/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-20-15-21(16,17)18/h2-15H2,1H3,(H2,16,17,18)
InChIKey
XCOPCFTXTDYANP-UHFFFAOYSA-N
Compound name
2-dodecoxyethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.20657 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21385 187.0
[M+Na]+ 347.19579 189.5
[M-H]- 323.19929 181.5
[M+NH4]+ 342.24039 181.7
[M+K]+ 363.16973 187.2
[M+H-H2O]+ 307.20383 178.5
[M+HCOO]- 369.20477 209.6
[M+CH3COO]- 383.22042 205.5
[M+Na-2H]- 345.18124 185.8
[M]+ 324.20602 195.5
[M]- 324.20712 195.5
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.