CID 59172001

11-phosphonoundecyl acrylate

Structural Information

Molecular Formula
C14H27O5P
SMILES
C=CC(=O)OCCCCCCCCCCCP(=O)(O)O
InChI
InChI=1S/C14H27O5P/c1-2-14(15)19-12-10-8-6-4-3-5-7-9-11-13-20(16,17)18/h2H,1,3-13H2,(H2,16,17,18)
InChIKey
RLAKYYIYWIWCED-UHFFFAOYSA-N
Compound name
11-prop-2-enoyloxyundecylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

306.1596 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16688 179.4
[M+Na]+ 329.14882 182.9
[M-H]- 305.15232 174.4
[M+NH4]+ 324.19342 193.5
[M+K]+ 345.12276 180.1
[M+H-H2O]+ 289.15686 171.5
[M+HCOO]- 351.15780 201.9
[M+CH3COO]- 365.17345 200.8
[M+Na-2H]- 327.13427 177.6
[M]+ 306.15905 185.5
[M]- 306.16015 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe