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

19
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

literature stripe

Patent stripe

patents stripe