CID 3123

2-amino-8-phosphonooctanoic acid

Structural Information

Molecular Formula
C8H18NO5P
SMILES
C(CCCP(=O)(O)O)CCC(C(=O)O)N
InChI
InChI=1S/C8H18NO5P/c9-7(8(10)11)5-3-1-2-4-6-15(12,13)14/h7H,1-6,9H2,(H,10,11)(H2,12,13,14)
InChIKey
KGGCRFYWXLVUQQ-UHFFFAOYSA-N
Compound name
2-amino-8-phosphonooctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

58
Patents

239.09225 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09953 157.7
[M+Na]+ 262.08147 161.5
[M-H]- 238.08497 151.6
[M+NH4]+ 257.12607 172.8
[M+K]+ 278.05541 160.2
[M+H-H2O]+ 222.08951 150.4
[M+HCOO]- 284.09045 179.6
[M+CH3COO]- 298.10610 187.5
[M+Na-2H]- 260.06692 156.2
[M]+ 239.09170 157.5
[M]- 239.09280 157.5
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.