CID 6481644

2-phosphonotridecanedioic acid

Structural Information

Molecular Formula
C13H25O7P
SMILES
C(CCCCCC(=O)O)CCCCC(C(=O)O)P(=O)(O)O
InChI
InChI=1S/C13H25O7P/c14-12(15)10-8-6-4-2-1-3-5-7-9-11(13(16)17)21(18,19)20/h11H,1-10H2,(H,14,15)(H,16,17)(H2,18,19,20)
InChIKey
QLJFNDQKLJOOQH-UHFFFAOYSA-N
Compound name
2-phosphonotridecanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.1338 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14108 179.9
[M+Na]+ 347.12302 181.9
[M-H]- 323.12652 172.1
[M+NH4]+ 342.16762 174.0
[M+K]+ 363.09696 180.1
[M+H-H2O]+ 307.13106 172.2
[M+HCOO]- 369.13200 182.4
[M+CH3COO]- 383.14765 199.8
[M+Na-2H]- 345.10847 175.6
[M]+ 324.13325 183.1
[M]- 324.13435 183.1
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.