CID 3122

2-amino-7-phosphonoheptanoic acid

Structural Information

Molecular Formula
C7H16NO5P
SMILES
C(CCC(C(=O)O)N)CCP(=O)(O)O
InChI
InChI=1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)
InChIKey
MYDMWESTDPJANS-UHFFFAOYSA-N
Compound name
2-amino-7-phosphonoheptanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

418
References

999
Patents

225.07661 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08389 153.1
[M+Na]+ 248.06583 157.3
[M-H]- 224.06933 147.2
[M+NH4]+ 243.11043 168.8
[M+K]+ 264.03977 156.2
[M+H-H2O]+ 208.07387 145.9
[M+HCOO]- 270.07481 175.3
[M+CH3COO]- 284.09046 184.4
[M+Na-2H]- 246.05128 152.0
[M]+ 225.07606 152.5
[M]- 225.07716 152.5
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