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

59
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

literature stripe

Patent stripe

patents stripe