CID 511878

2-phosphonoundecanoic acid

Structural Information

Molecular Formula
C11H23O5P
SMILES
CCCCCCCCCC(C(=O)O)P(=O)(O)O
InChI
InChI=1S/C11H23O5P/c1-2-3-4-5-6-7-8-9-10(11(12)13)17(14,15)16/h10H,2-9H2,1H3,(H,12,13)(H2,14,15,16)
InChIKey
ZGOZHGVRLFCXBO-UHFFFAOYSA-N
Compound name
2-phosphonoundecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

266.1283 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13558 168.1
[M+Na]+ 289.11752 171.7
[M-H]- 265.12102 162.2
[M+NH4]+ 284.16212 182.9
[M+K]+ 305.09146 169.9
[M+H-H2O]+ 249.12556 160.9
[M+HCOO]- 311.12650 188.8
[M+CH3COO]- 325.14215 191.8
[M+Na-2H]- 287.10297 165.9
[M]+ 266.12775 171.1
[M]- 266.12885 171.1
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.