CID 87458110

11-methacryloyloxyundecylphosphonic acid

Structural Information

Molecular Formula
C15H29O5P
SMILES
CC(=C)C(=O)OCCCCCCCCCCCP(=O)(O)O
InChI
InChI=1S/C15H29O5P/c1-14(2)15(16)20-12-10-8-6-4-3-5-7-9-11-13-21(17,18)19/h1,3-13H2,2H3,(H2,17,18,19)
InChIKey
IUDHARNGDKAQTA-UHFFFAOYSA-N
Compound name
11-(2-methylprop-2-enoyloxy)undecylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

320.17526 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18254 184.1
[M+Na]+ 343.16448 186.9
[M-H]- 319.16798 179.0
[M+NH4]+ 338.20908 179.6
[M+K]+ 359.13842 184.5
[M+H-H2O]+ 303.17252 176.2
[M+HCOO]- 365.17346 191.4
[M+CH3COO]- 379.18911 204.6
[M+Na-2H]- 341.14993 180.6
[M]+ 320.17471 189.9
[M]- 320.17581 189.9
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